4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline

C39H29N3 — CID 74059606

IUPAC4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline
SMILESC(=CN(C=Cc1ccccc1)c1ccc(-c2nc3ccccc3n2-c2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C39H29N3/c1-3-11-30(12-4-1)25-27-41(28-26-31-13-5-2-6-14-31)35-22-20-33(21-23-35)39-40-37-17-9-10-18-38(37)42(39)36-24-19-32-15-7-8-16-34(32)29-36/h1-29H
InChIKeyBTIKDVBSEUFSJF-UHFFFAOYSA-N
MW539.68 g/mol
LogP9.99
Rot. Bonds7

About 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline

4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline (PubChem CID 74059606) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline.

Molecular Properties

Compound Name4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline
PubChem CID74059606
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline
SMILESC(=CN(C=Cc1ccccc1)c1ccc(-c2nc3ccccc3n2-c2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C39H29N3/c1-3-11-30(12-4-1)25-27-41(28-26-31-13-5-2-6-14-31)35-22-20-33(21-23-35)39-40-37-17-9-10-18-38(37)42(39)36-24-19-32-15-7-8-16-34(32)29-36/h1-29H
InChIKeyBTIKDVBSEUFSJF-UHFFFAOYSA-N
XLogP9.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-phenyl-1-(4-pyren-2-ylphenyl)benzimidazole
CID 90362549
4-[7-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488094
N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine
CID 90198233
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
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

Frequently Asked Questions

What is the IUPAC name of 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline?
The IUPAC name of 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline (CID 74059606) is 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline.
What is the SMILES notation for 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline?
The canonical SMILES for 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline is C(=CN(C=Cc1ccccc1)c1ccc(-c2nc3ccccc3n2-c2ccc3ccccc3c2)cc1)c1ccccc1.
What is the InChIKey of 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline?
The InChIKey is BTIKDVBSEUFSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-3-11-30(12-4-1)25-27-41(28-26-31-13-5-2-6-14-31)35-22-20-33(21-23-35)39-40-37-17-9-10-18-38(37)42(39)36-24-19-32-15-7-8-16-34(32)29-36/h1-29H.
What are the key properties of 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline?
4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline has a molecular weight of 539.68 g/mol, XLogP of 9.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-naphthalen-2-ylbenzimidazol-2-yl)-N,N-bis(2-phenylethenyl)aniline is sourced from PubChem (CID 74059606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).