9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine

C43H29N5 — CID 135252620

IUPAC9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccnc2n3-c2ccc(-c3ccc(-c4ccc5ccncc5n4)cc3)cc2)cc1
InChIInChI=1S/C43H29N5/c1-3-8-34(9-4-1)47(35-10-5-2-6-11-35)37-22-24-42-39(28-37)38-12-7-26-45-43(38)48(42)36-20-17-31(18-21-36)30-13-15-32(16-14-30)40-23-19-33-25-27-44-29-41(33)46-40/h1-29H
InChIKeyJYBUKVLNVAJWFK-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.93
Rot. Bonds6

About 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine

9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine (PubChem CID 135252620) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine.

Molecular Properties

Compound Name9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine
PubChem CID135252620
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccnc2n3-c2ccc(-c3ccc(-c4ccc5ccncc5n4)cc3)cc2)cc1
InChIInChI=1S/C43H29N5/c1-3-8-34(9-4-1)47(35-10-5-2-6-11-35)37-22-24-42-39(28-37)38-12-7-26-45-43(38)48(42)36-20-17-31(18-21-36)30-13-15-32(16-14-30)40-23-19-33-25-27-44-29-41(33)46-40/h1-29H
InChIKeyJYBUKVLNVAJWFK-UHFFFAOYSA-N
XLogP10.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine;N,N-diphenyl-9-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]carbazol-3-amine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-c]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine
CID 157068872
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[5,4-c]pyridine;9-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]oxazolo[5,4-c]pyridine
CID 161203171
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
9-[4-(1,10-phenanthrolin-3-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354202
2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
CID 118403847
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
bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine
CID 159122410
N,N-diphenyl-4-[9-(4-quinoxalin-2-ylphenyl)carbazol-3-yl]aniline
CID 135252509
3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine
CID 130353166
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
CID 59211203
9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354239

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine?
The IUPAC name of 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine (CID 135252620) is 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine.
What is the SMILES notation for 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine?
The canonical SMILES for 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccnc2n3-c2ccc(-c3ccc(-c4ccc5ccncc5n4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine?
The InChIKey is JYBUKVLNVAJWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-3-8-34(9-4-1)47(35-10-5-2-6-11-35)37-22-24-42-39(28-37)38-12-7-26-45-43(38)48(42)36-20-17-31(18-21-36)30-13-15-32(16-14-30)40-23-19-33-25-27-44-29-41(33)46-40/h1-29H.
What are the key properties of 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine?
9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine has a molecular weight of 615.74 g/mol, XLogP of 10.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 135252620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).