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

C43H30N4 — CID 59500875

IUPACN,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C43H30N4/c1-4-14-32(15-5-1)45(36-28-29-41-38(30-36)37-20-10-12-22-40(37)46(41)33-16-6-2-7-17-33)35-26-24-31(25-27-35)43-44-39-21-11-13-23-42(39)47(43)34-18-8-3-9-19-34/h1-30H
InChIKeyIJOHBBYLTIQQCA-UHFFFAOYSA-N
MW602.74 g/mol
LogP11.26
Rot. Bonds6

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

N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine (PubChem CID 59500875) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
PubChem CID59500875
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC NameN,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C43H30N4/c1-4-14-32(15-5-1)45(36-28-29-41-38(30-36)37-20-10-12-22-40(37)46(41)33-16-6-2-7-17-33)35-26-24-31(25-27-35)43-44-39-21-11-13-23-42(39)47(43)34-18-8-3-9-19-34/h1-30H
InChIKeyIJOHBBYLTIQQCA-UHFFFAOYSA-N
XLogP11.26
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]-3-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]aniline
CID 58963329
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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-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-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
9-[3-carbazol-9-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;N-[4-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158130026
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
3-N,3-N,10-N,10-N-tetraphenyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125585
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine (CID 59500875) is N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine is c1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine?
The InChIKey is IJOHBBYLTIQQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4/c1-4-14-32(15-5-1)45(36-28-29-41-38(30-36)37-20-10-12-22-40(37)46(41)33-16-6-2-7-17-33)35-26-24-31(25-27-35)43-44-39-21-11-13-23-42(39)47(43)34-18-8-3-9-19-34/h1-30H.
What are the key properties of N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine?
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine has a molecular weight of 602.74 g/mol, XLogP of 11.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 59500875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).