9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine

C53H36N4 — CID 59500896

IUPAC9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C53H36N4/c1-3-15-42(16-4-1)55(44-31-27-39(28-32-44)53-54-49-20-10-12-22-52(49)57(53)43-17-5-2-6-18-43)46-33-34-51-48(36-46)47-19-9-11-21-50(47)56(51)45-29-25-38(26-30-45)41-24-23-37-13-7-8-14-40(37)35-41/h1-36H
InChIKeyXRSIBIRYOWBJGK-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.08
Rot. Bonds7

About 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine

9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine (PubChem CID 59500896) has the molecular formula C53H36N4 and a molecular weight of 728.90 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
PubChem CID59500896
Molecular FormulaC53H36N4
Molecular Weight728.90 g/mol
Exact Mass728.29
IUPAC Name9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C53H36N4/c1-3-15-42(16-4-1)55(44-31-27-39(28-32-44)53-54-49-20-10-12-22-52(49)57(53)43-17-5-2-6-18-43)46-33-34-51-48(36-46)47-19-9-11-21-50(47)56(51)45-29-25-38(26-30-45)41-24-23-37-13-7-8-14-40(37)35-41/h1-36H
InChIKeyXRSIBIRYOWBJGK-UHFFFAOYSA-N
XLogP14.08
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831
2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
CID 171736333
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine?
The IUPAC name of 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine (CID 59500896) is 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine?
The canonical SMILES for 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine is c1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine?
The InChIKey is XRSIBIRYOWBJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4/c1-3-15-42(16-4-1)55(44-31-27-39(28-32-44)53-54-49-20-10-12-22-52(49)57(53)43-17-5-2-6-18-43)46-33-34-51-48(36-46)47-19-9-11-21-50(47)56(51)45-29-25-38(26-30-45)41-24-23-37-13-7-8-14-40(37)35-41/h1-36H.
What are the key properties of 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine?
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine has a molecular weight of 728.90 g/mol, XLogP of 14.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 59500896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).