2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane

C43H35N3O2 — CID 159621347

IUPAC2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane
SMILESC.O=C(Nc1ccccc1Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C42H31N3O2.CH4/c46-40-27-36-29(21-24-35-34-16-8-10-18-39(34)43-41(35)36)26-37(40)42(47)44-38-17-9-7-11-30(38)25-28-19-22-33(23-20-28)45(31-12-3-1-4-13-31)32-14-5-2-6-15-32;/h1-24,26-27,43,46H,25H2,(H,44,47);1H4
InChIKeyMNXSAABMGFVJLS-UHFFFAOYSA-N
MW625.77 g/mol
LogP11.13
Rot. Bonds7

About 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane

2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane (PubChem CID 159621347) has the molecular formula C43H35N3O2 and a molecular weight of 625.77 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane.

Molecular Properties

Compound Name2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane
PubChem CID159621347
Molecular FormulaC43H35N3O2
Molecular Weight625.77 g/mol
Exact Mass625.27
IUPAC Name2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane
SMILESC.O=C(Nc1ccccc1Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C42H31N3O2.CH4/c46-40-27-36-29(21-24-35-34-16-8-10-18-39(34)43-41(35)36)26-37(40)42(47)44-38-17-9-7-11-30(38)25-28-19-22-33(23-20-28)45(31-12-3-1-4-13-31)32-14-5-2-6-15-32;/h1-24,26-27,43,46H,25H2,(H,44,47);1H4
InChIKeyMNXSAABMGFVJLS-UHFFFAOYSA-N
XLogP11.13
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.77
LogP ≤ 511.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
CID 20656390
ethane;2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
CID 91394685
2-hydroxy-N-(3-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 14008608
2-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-11H-benzo[a]carbazole-3-carboxamide
CID 137495996
phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
CID 19933809
3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
CID 44579437
2-(2-hydroxy-11H-benzo[a]carbazol-3-yl)-N-(4-methoxyphenyl)acetamide
CID 139771930
3-amino-11H-benzo[a]carbazol-2-ol
CID 135394460
N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 4785719
1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-(9H-carbazol-1-yl)benzamide
CID 138533611

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane?
The IUPAC name of 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane (CID 159621347) is 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane.
What is the SMILES notation for 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane?
The canonical SMILES for 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane is C.O=C(Nc1ccccc1Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc2ccc3c4ccccc4[nH]c3c2cc1O.
What is the InChIKey of 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane?
The InChIKey is MNXSAABMGFVJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O2.CH4/c46-40-27-36-29(21-24-35-34-16-8-10-18-39(34)43-41(35)36)26-37(40)42(47)44-38-17-9-7-11-30(38)25-28-19-22-33(23-20-28)45(31-12-3-1-4-13-31)32-14-5-2-6-15-32;/h1-24,26-27,43,46H,25H2,(H,44,47);1H4.
What are the key properties of 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane?
2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane has a molecular weight of 625.77 g/mol, XLogP of 11.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane is sourced from PubChem (CID 159621347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).