N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline

C39H27N3 — CID 71108554

IUPACN,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline
SMILESc1ccc(-c2cn3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C39H27N3/c1-4-12-29(13-5-1)36-27-41-38-26-30(22-25-37(38)40-39(41)35-19-11-10-18-34(35)36)28-20-23-33(24-21-28)42(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H
InChIKeyRTYVWRDEYSNBTA-UHFFFAOYSA-N
MW537.67 g/mol
LogP10.44
Rot. Bonds5

About N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline

N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline (PubChem CID 71108554) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline
PubChem CID71108554
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC NameN,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline
SMILESc1ccc(-c2cn3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C39H27N3/c1-4-12-29(13-5-1)36-27-41-38-26-30(22-25-37(38)40-39(41)35-19-11-10-18-34(35)36)28-20-23-33(24-21-28)42(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H
InChIKeyRTYVWRDEYSNBTA-UHFFFAOYSA-N
XLogP10.44
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenylbenzimidazolo[2,1-a]isoquinoline
CID 58518009
N-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 58037906
N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508928
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-N,N-diphenylaniline;N-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 160751175
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
2,4-diphenyl-N,N-bis(4-phenylphenyl)quinolin-6-amine
CID 142713547
5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine
CID 162169497
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline (CID 71108554) is N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline is c1ccc(-c2cn3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4nc3c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline?
The InChIKey is RTYVWRDEYSNBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-4-12-29(13-5-1)36-27-41-38-26-30(22-25-37(38)40-39(41)35-19-11-10-18-34(35)36)28-20-23-33(24-21-28)42(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H.
What are the key properties of N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline?
N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline has a molecular weight of 537.67 g/mol, XLogP of 10.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline is sourced from PubChem (CID 71108554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).