4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid

C72H60N12O16S4 — CID 25199406

IUPAC4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid
SMILESCC1(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc1[nH]2
InChIInChI=1S/C72H60N12O16S4/c1-69(41-5-25-57(85)53(37-41)81-77-45-9-17-49(18-10-45)101(89,90)91)61-29-31-63(73-61)70(2,42-6-26-58(86)54(38-42)82-78-46-11-19-50(20-12-46)102(92,93)94)65-33-35-67(75-65)72(4,44-8-28-60(88)56(40-44)84-80-48-15-23-52(24-16-48)104(98,99)100)68-36-34-66(76-68)71(3,64-32-30-62(69)74-64)43-7-27-59(87)55(39-43)83-79-47-13-21-51(22-14-47)103(95,96)97/h5-40,73-76,85-88H,1-4H3,(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)/b81-77+,82-78+,83-79+,84-80+
InChIKeyLRSZLXMJRDLSIM-ZHZLCANWSA-N
MW1477.61 g/mol
LogP16.20
Rot. Bonds16

About 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid

4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid (PubChem CID 25199406) has the molecular formula C72H60N12O16S4 and a molecular weight of 1477.61 g/mol. Its IUPAC name is 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid
PubChem CID25199406
Molecular FormulaC72H60N12O16S4
Molecular Weight1477.61 g/mol
Exact Mass1476.31
IUPAC Name4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid
SMILESCC1(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc1[nH]2
InChIInChI=1S/C72H60N12O16S4/c1-69(41-5-25-57(85)53(37-41)81-77-45-9-17-49(18-10-45)101(89,90)91)61-29-31-63(73-61)70(2,42-6-26-58(86)54(38-42)82-78-46-11-19-50(20-12-46)102(92,93)94)65-33-35-67(75-65)72(4,44-8-28-60(88)56(40-44)84-80-48-15-23-52(24-16-48)104(98,99)100)68-36-34-66(76-68)71(3,64-32-30-62(69)74-64)43-7-27-59(87)55(39-43)83-79-47-13-21-51(22-14-47)103(95,96)97/h5-40,73-76,85-88H,1-4H3,(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)/b81-77+,82-78+,83-79+,84-80+
InChIKeyLRSZLXMJRDLSIM-ZHZLCANWSA-N
XLogP16.20
TPSA460.44 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001477.61
LogP ≤ 516.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 170845739
CID 170845739
4-[(5-fluoro-2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 136728610
4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
CID 136679511
CID 170841045
CID 170841045
CID 137190326
CID 137190326
2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol
CID 136954019
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
5-[[4-[[2,4-diamino-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136917462
2-ethyl-3-hydroxy-6-[(4-sulfophenyl)diazenyl]phenolate
CID 136880485
sodium 4,5-dimethyl-2-[(4-sulfophenyl)diazenyl]phenolate
CID 101119897
sodium 5-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-[(E)-2-[4-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135499455
2-[[4-[(4-hydroxy-3-methylphenyl)diazenyl]phenyl]methylamino]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 143586589

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid (CID 25199406) is 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid is CC1(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc([nH]2)C(C)(c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2)c2ccc1[nH]2.
What is the InChIKey of 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid?
The InChIKey is LRSZLXMJRDLSIM-ZHZLCANWSA-N. The full InChI is InChI=1S/C72H60N12O16S4/c1-69(41-5-25-57(85)53(37-41)81-77-45-9-17-49(18-10-45)101(89,90)91)61-29-31-63(73-61)70(2,42-6-26-58(86)54(38-42)82-78-46-11-19-50(20-12-46)102(92,93)94)65-33-35-67(75-65)72(4,44-8-28-60(88)56(40-44)84-80-48-15-23-52(24-16-48)104(98,99)100)68-36-34-66(76-68)71(3,64-32-30-62(69)74-64)43-7-27-59(87)55(39-43)83-79-47-13-21-51(22-14-47)103(95,96)97/h5-40,73-76,85-88H,1-4H3,(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)/b81-77+,82-78+,83-79+,84-80+.
What are the key properties of 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid?
4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid has a molecular weight of 1477.61 g/mol, XLogP of 16.20, 16 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid is sourced from PubChem (CID 25199406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).