5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide

C67H48Cl2N8O5 — CID 20718159

IUPAC5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
SMILESCCc1ccccc1C(NO)c1cc2ccc3c4cc(Cl)ccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cccc4c(/N=N/c5c(O)c(C(=O)Nc6ccccc6C)cc6ccc(C)c(Nc7ccc(Cl)cc7)c56)ccc-3c24)c1O
InChIInChI=1S/C67H48Cl2N8O5/c1-4-36-11-6-7-12-43(36)60(77-82)51-30-38-18-25-46-49-32-40(69)21-28-54(49)71-61(46)57(38)63(65(51)79)75-73-42-24-26-44-45-27-29-55(47-13-9-14-48(58(45)47)64(78)50(44)33-42)74-76-62-56-37(17-16-35(3)59(56)70-41-22-19-39(68)20-23-41)31-52(66(62)80)67(81)72-53-15-8-5-10-34(53)2/h5-33,60,70-71,77,79-80,82H,4H2,1-3H3,(H,72,81)/b75-73+,76-74+
InChIKeyGSZWUNDSDZWPAA-SBDKOWOHSA-N
MW1116.08 g/mol
LogP18.78
Rot. Bonds12

About 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide

5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide (PubChem CID 20718159) has the molecular formula C67H48Cl2N8O5 and a molecular weight of 1116.08 g/mol. Its IUPAC name is 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
PubChem CID20718159
Molecular FormulaC67H48Cl2N8O5
Molecular Weight1116.08 g/mol
Exact Mass1114.31
IUPAC Name5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
SMILESCCc1ccccc1C(NO)c1cc2ccc3c4cc(Cl)ccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cccc4c(/N=N/c5c(O)c(C(=O)Nc6ccccc6C)cc6ccc(C)c(Nc7ccc(Cl)cc7)c56)ccc-3c24)c1O
InChIInChI=1S/C67H48Cl2N8O5/c1-4-36-11-6-7-12-43(36)60(77-82)51-30-38-18-25-46-49-32-40(69)21-28-54(49)71-61(46)57(38)63(65(51)79)75-73-42-24-26-44-45-27-29-55(47-13-9-14-48(58(45)47)64(78)50(44)33-42)74-76-62-56-37(17-16-35(3)59(56)70-41-22-19-39(68)20-23-41)31-52(66(62)80)67(81)72-53-15-8-5-10-34(53)2/h5-33,60,70-71,77,79-80,82H,4H2,1-3H3,(H,72,81)/b75-73+,76-74+
InChIKeyGSZWUNDSDZWPAA-SBDKOWOHSA-N
XLogP18.78
TPSA196.15 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001116.08
LogP ≤ 518.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-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

N-[8-chloro-1-[[9-[[8-chloro-3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-2-hydroxy-11H-benzo[a]carbazol-3-yl]-2-ethylbenzamide
CID 22964779
1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 148944384
3-hydroxy-N-(2-methylphenyl)-4-[[9-oxo-7-[[3-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxybut-1-en-2-yl]diazenyl]fluoren-2-yl]diazenyl]naphthalene-2-carboxamide
CID 136628099
N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 135584933
8-chloro-1-[[3-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]fluoren-1-yl]diazenyl]-7-oxobenzo[a]phenalen-9-yl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]fluorene-3-carboxamide
CID 59146461
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-[[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
2,6-bis(methyldiazenyl)anthracene-9,10-dione;8-chloro-N-[[3-chloro-4-[(2-methylphenyl)carbamoylcarbamoyl]phenyl]carbamoyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[[4-[2-(2-chloro-5-fluorophenyl)ethylcarbamoyl]phenyl]carbamoyl]-3-hydroxy-4-methylanthracene-2-carboxamide;4-chloro-3-(5-hydroxy-6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzonitrile;N-[[4-[(2-chlorophenyl)carbamoylcarbamoyl]-2-methoxyphenyl]carbamoyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide
CID 54387474
4-[[7-[[3-[(2-chloroanilino)oxymethyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalene-2-carboxamide
CID 20676679
N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
CID 20656390
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide (CID 20718159) is 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide is CCc1ccccc1C(NO)c1cc2ccc3c4cc(Cl)ccc4[nH]c3c2c(/N=N/c2ccc3c(c2)C(=O)c2cccc4c(/N=N/c5c(O)c(C(=O)Nc6ccccc6C)cc6ccc(C)c(Nc7ccc(Cl)cc7)c56)ccc-3c24)c1O.
What is the InChIKey of 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is GSZWUNDSDZWPAA-SBDKOWOHSA-N. The full InChI is InChI=1S/C67H48Cl2N8O5/c1-4-36-11-6-7-12-43(36)60(77-82)51-30-38-18-25-46-49-32-40(69)21-28-54(49)71-61(46)57(38)63(65(51)79)75-73-42-24-26-44-45-27-29-55(47-13-9-14-48(58(45)47)64(78)50(44)33-42)74-76-62-56-37(17-16-35(3)59(56)70-41-22-19-39(68)20-23-41)31-52(66(62)80)67(81)72-53-15-8-5-10-34(53)2/h5-33,60,70-71,77,79-80,82H,4H2,1-3H3,(H,72,81)/b75-73+,76-74+.
What are the key properties of 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide?
5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 1116.08 g/mol, XLogP of 18.78, 12 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 20718159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).