N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine

C48H32N4 — CID 171054723

IUPACN,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine
SMILESc1ccc(-c2nc3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc23)cc1
InChIInChI=1S/C48H32N4/c1-5-17-33(18-6-1)47-46-44(51(36-20-7-2-8-21-36)37-22-9-3-10-23-37)32-34-19-13-14-26-39(34)45(46)40-30-29-35(31-42(40)49-47)48-50-41-27-15-16-28-43(41)52(48)38-24-11-4-12-25-38/h1-32H
InChIKeyIJXUPEDAZQPSQB-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.68
Rot. Bonds6

About N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine

N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine (PubChem CID 171054723) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine.

Molecular Properties

Compound NameN,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine
PubChem CID171054723
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC NameN,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine
SMILESc1ccc(-c2nc3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc23)cc1
InChIInChI=1S/C48H32N4/c1-5-17-33(18-6-1)47-46-44(51(36-20-7-2-8-21-36)37-22-9-3-10-23-37)32-34-19-13-14-26-39(34)45(46)40-30-29-35(31-42(40)49-47)48-50-41-27-15-16-28-43(41)52(48)38-24-11-4-12-25-38/h1-32H
InChIKeyIJXUPEDAZQPSQB-UHFFFAOYSA-N
XLogP12.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-3-[10-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054618
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-7-amine
CID 171055008
N,N-diphenyl-4-[1-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054995
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
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-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
2-(2,6-diphenyl-4-pyridinyl)-N,N,6-triphenylbenzo[k]phenanthridin-7-amine
CID 171054873
4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 169048383
4-(4-phenanthren-9-ylphenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498636

Frequently Asked Questions

What is the IUPAC name of N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine?
The IUPAC name of N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine (CID 171054723) is N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine.
What is the SMILES notation for N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine?
The canonical SMILES for N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine is c1ccc(-c2nc3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc23)cc1.
What is the InChIKey of N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine?
The InChIKey is IJXUPEDAZQPSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-5-17-33(18-6-1)47-46-44(51(36-20-7-2-8-21-36)37-22-9-3-10-23-37)32-34-19-13-14-26-39(34)45(46)40-30-29-35(31-42(40)49-47)48-50-41-27-15-16-28-43(41)52(48)38-24-11-4-12-25-38/h1-32H.
What are the key properties of N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine?
N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine has a molecular weight of 664.81 g/mol, XLogP of 12.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-triphenyl-3-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-7-amine is sourced from PubChem (CID 171054723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).