2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide

C35H26N4O3 — CID 148944384

IUPAC2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3cccc4ccccc34)c2O)c(C)c1
InChIInChI=1S/C35H26N4O3/c1-20-18-23(42-2)15-17-28(20)37-35(41)27-19-22-14-16-26-25-11-5-6-12-29(25)36-32(26)31(22)33(34(27)40)39-38-30-13-7-9-21-8-3-4-10-24(21)30/h3-19,36,40H,1-2H3,(H,37,41)/b39-38+
InChIKeyPOQHZZFFIWSHGG-YMZYAJTMSA-N
MW550.62 g/mol
LogP9.32
Rot. Bonds5

About 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide

2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 148944384) has the molecular formula C35H26N4O3 and a molecular weight of 550.62 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide
PubChem CID148944384
Molecular FormulaC35H26N4O3
Molecular Weight550.62 g/mol
Exact Mass550.20
IUPAC Name2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3cccc4ccccc34)c2O)c(C)c1
InChIInChI=1S/C35H26N4O3/c1-20-18-23(42-2)15-17-28(20)37-35(41)27-19-22-14-16-26-25-11-5-6-12-29(25)36-32(26)31(22)33(34(27)40)39-38-30-13-7-9-21-8-3-4-10-24(21)30/h3-19,36,40H,1-2H3,(H,37,41)/b39-38+
InChIKeyPOQHZZFFIWSHGG-YMZYAJTMSA-N
XLogP9.32
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 59.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide
CID 158767510
3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 136714418
ethyl 2-[[3-[[4-[[4-[(2-ethoxycarbonylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
CID 136854850
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
N-[2,5-diethyl-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177438647
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 3019188
N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
CID 20656390
N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 91962579
N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177482631
4-chloro-2-[[3-[(2-chloro-5-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-5-methylbenzenesulfonic acid
CID 136854997

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide (CID 148944384) is 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide is COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3cccc4ccccc34)c2O)c(C)c1.
What is the InChIKey of 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is POQHZZFFIWSHGG-YMZYAJTMSA-N. The full InChI is InChI=1S/C35H26N4O3/c1-20-18-23(42-2)15-17-28(20)37-35(41)27-19-22-14-16-26-25-11-5-6-12-29(25)36-32(26)31(22)33(34(27)40)39-38-30-13-7-9-21-8-3-4-10-24(21)30/h3-19,36,40H,1-2H3,(H,37,41)/b39-38+.
What are the key properties of 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide?
2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 550.62 g/mol, XLogP of 9.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 148944384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).