2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene

• ChemBase编号: 75225
• 分子式: C44H30N4
• 平均质量: 614.7358
• 单一同位素质量: 614.24704698
• SMILES: N1=C2/C(=c\3/[nH]/c(=C(\c4ccccc4)/C4=N/C(=C(/c5ccccc5)\c5ccc([nH]5)/C(=C\1/C=C2)/c1ccccc1)/C=C4)/cc3)/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\cc/c(=C(\C3=N/C(=C(\c4[nH]c1cc4)/c1ccccc1)/C=C3)/c1ccccc1)/[nH]2)/c1ccccc1
• InChI: InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38+,44-39-,44-40+
• InChIKey: YNHJECZULSZAQK-AAZAXIOTSA-N

名称和登记号

名称

• IUPAC标准名: 2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene; 2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^3,^6.1^8,^1^1.1^1^3,^1^6]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
• IUPAC传统名: tetraphenylporphyrin
• 别名: 四苯基卟啉; 内消旋-四苯基扑吩, low chlorin; meso-Tetraphenylporphine, low chlorin; TETRAPHENYL PORPHINE; 5,10,15,20-Tetraphenylporphin; TPP; meso-Tetraphenylporphyrin; meso-Tetraphenylporphine, low chlorine; 5,10,15,20-Tetraphenyl-21H,23H-porphine; meso-Tetraphenylporphyrin; 5,10,15,20-Tetraphenyl-21H,23H-porphine

登记号

• CAS号: 917-23-7; 20998-75-8
• EC号: 213-025-9
• MDL号: MFCD00011680
• Beilstein号: 379542
• PubChem SID: 24854864; 24889047; 24849899; 24889048; 162040143
• PubChem CID: 70186

理论计算性质

• LogD (pH = 7.4): 11.219986
• Log P: 11.220981
• 摩尔折射率: 193.0014 cm^3
• 极化性: 85.83062 Å^3
• 极化表面积: 57.36 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false
• Acid pKa: 14.33949
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 11.145424

分子性质

理化性质

• 溶解度: Do you have solubility information on this product that you would like to share?
• 熔点: >300 °C(lit.); 449-451°C
• 紫外吸收波长: λmax 415 nm; λmax 514 nm
• 荧光: λex 420 nm; λem 651 nm in toluene

安全信息

• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C; 2-8°C

药理学性质

• 相关基因信息: human ... TERT(7015)

产品相关信息

• 纯度: ≥93% (HPLC); ≥99%; ≥99.0% (HPLC); 97%
• 级别: for fluorescence
• 适用性: suitable for fluorescence
• 杂质: <0.1% corresponding chlorin; ≤0.5% chlorin; 1-3% corresponding chlorin
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C44H30N4

详细说明

MP Biomedicals - 05221509

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 88071

Analysis Note
In addition to the emission maximum at 651 nm, there is a lower maxima at 717 nm.
Other Notes
Sensitizer used for the photochemical generation of singlet oxygen1,2,3

Sigma Aldrich - 88072

Analysis Note
In addition to the emission maximum at 651 nm, there is a lower maxima at 717 nm.
Application
Do you have application information on this product that you would like to share?

Sigma Aldrich - 247367

包装
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 160997

包装
1, 5 g in glass bottle
25 g in poly bottle