2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide

C66H46N8O4 — CID 139655308

IUPAC2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(/C=C/C=C/C=C/C=C/c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccccc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O
InChIInChI=1S/C66H46N8O4/c75-63-53(65(77)67-45-19-9-5-10-20-45)39-43-31-37-51-49-23-13-15-25-55(49)69-59(51)57(43)61(63)73-71-47-33-27-41(28-34-47)17-7-3-1-2-4-8-18-42-29-35-48(36-30-42)72-74-62-58-44(32-38-52-50-24-14-16-26-56(50)70-60(52)58)40-54(64(62)76)66(78)68-46-21-11-6-12-22-46/h1-40,69-70,75-76H,(H,67,77)(H,68,78)/b3-1+,4-2+,17-7+,18-8+,73-71+,74-72+
InChIKeyHZMHRNWEYXHDMX-GIMPZZBHSA-N
MW1015.15 g/mol
LogP17.85
Rot. Bonds13

About 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide

2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 139655308) has the molecular formula C66H46N8O4 and a molecular weight of 1015.15 g/mol. Its IUPAC name is 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
PubChem CID139655308
Molecular FormulaC66H46N8O4
Molecular Weight1015.15 g/mol
Exact Mass1014.36
IUPAC Name2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(/C=C/C=C/C=C/C=C/c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccccc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O
InChIInChI=1S/C66H46N8O4/c75-63-53(65(77)67-45-19-9-5-10-20-45)39-43-31-37-51-49-23-13-15-25-55(49)69-59(51)57(43)61(63)73-71-47-33-27-41(28-34-47)17-7-3-1-2-4-8-18-42-29-35-48(36-30-42)72-74-62-58-44(32-38-52-50-24-14-16-26-56(50)70-60(52)58)40-54(64(62)76)66(78)68-46-21-11-6-12-22-46/h1-40,69-70,75-76H,(H,67,77)(H,68,78)/b3-1+,4-2+,17-7+,18-8+,73-71+,74-72+
InChIKeyHZMHRNWEYXHDMX-GIMPZZBHSA-N
XLogP17.85
TPSA179.68 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.15
LogP ≤ 517.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide 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

ethane;2-hydroxy-N-phenyl-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide
CID 136658590
1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
1-[[4-[[(3E)-3-(2,4-dioxo-1H-quinolin-3-ylidene)isoindol-1-ylidene]amino]phenyl]diazenyl]-2-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-11H-benzo[a]carbazole-3-carboxamide
CID 137495995
2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 148944384
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
CID 162195447
1-[[4-[[2,4-bis[3-(dimethylamino)propylamino]-1,2-dihydro-1,3,5-triazin-6-yl]amino]phenyl]diazenyl]-2-hydroxy-N-(4-methoxy-2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 163459790
2-hydroxy-N-(3-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 14008608
ethane;3-[(2-ethylanilino)oxymethyl]-1-[[4-(methylamino)phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
CID 136618865
3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
CID 23565941
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
4,5,6,7-tetrachloro-3-[4-[(2-hydroxy-3-methyl-11H-benzo[a]carbazol-1-yl)diazenyl]phenyl]iminoisoindol-1-one
CID 136600891
4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135731638

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide (CID 139655308) is 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide is O=C(Nc1ccccc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(/C=C/C=C/C=C/C=C/c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccccc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O.
What is the InChIKey of 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is HZMHRNWEYXHDMX-GIMPZZBHSA-N. The full InChI is InChI=1S/C66H46N8O4/c75-63-53(65(77)67-45-19-9-5-10-20-45)39-43-31-37-51-49-23-13-15-25-55(49)69-59(51)57(43)61(63)73-71-47-33-27-41(28-34-47)17-7-3-1-2-4-8-18-42-29-35-48(36-30-42)72-74-62-58-44(32-38-52-50-24-14-16-26-56(50)70-60(52)58)40-54(64(62)76)66(78)68-46-21-11-6-12-22-46/h1-40,69-70,75-76H,(H,67,77)(H,68,78)/b3-1+,4-2+,17-7+,18-8+,73-71+,74-72+.
What are the key properties of 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 1015.15 g/mol, XLogP of 17.85, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 139655308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).