1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one

C44H30N4O — CID 130355082

IUPAC1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one
SMILESO=c1ccn(-c2cccc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c2)c2ccccc12
InChIInChI=1S/C44H30N4O/c49-44-25-27-46(41-17-8-7-16-38(41)44)36-15-9-10-32(28-36)31-18-20-35(21-19-31)48-42-23-22-37(29-39(42)40-30-45-26-24-43(40)48)47(33-11-3-1-4-12-33)34-13-5-2-6-14-34/h1-30H
InChIKeyYDXDGEVNENWCFL-UHFFFAOYSA-N
MW630.75 g/mol
LogP10.62
Rot. Bonds6

About 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one

1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one (PubChem CID 130355082) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one.

Molecular Properties

Compound Name1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one
PubChem CID130355082
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC Name1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one
SMILESO=c1ccn(-c2cccc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c2)c2ccccc12
InChIInChI=1S/C44H30N4O/c49-44-25-27-46(41-17-8-7-16-38(41)44)36-15-9-10-32(28-36)31-18-20-35(21-19-31)48-42-23-22-37(29-39(42)40-30-45-26-24-43(40)48)47(33-11-3-1-4-12-33)34-13-5-2-6-14-34/h1-30H
InChIKeyYDXDGEVNENWCFL-UHFFFAOYSA-N
XLogP10.62
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one 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

10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one
CID 130354253
5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 130353095
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine
CID 121296361
N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252617
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one?
The IUPAC name of 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one (CID 130355082) is 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one.
What is the SMILES notation for 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one?
The canonical SMILES for 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one is O=c1ccn(-c2cccc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c2)c2ccccc12.
What is the InChIKey of 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one?
The InChIKey is YDXDGEVNENWCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c49-44-25-27-46(41-17-8-7-16-38(41)44)36-15-9-10-32(28-36)31-18-20-35(21-19-31)48-42-23-22-37(29-39(42)40-30-45-26-24-43(40)48)47(33-11-3-1-4-12-33)34-13-5-2-6-14-34/h1-30H.
What are the key properties of 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one?
1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one has a molecular weight of 630.75 g/mol, XLogP of 10.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one is sourced from PubChem (CID 130355082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).