5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole

C31H21N3 — CID 170284536

IUPAC5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3)cc2)cc1
InChIInChI=1S/C31H21N3/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)25-18-20-26(21-19-25)33-29-12-6-7-13-30(29)34-28-11-5-4-10-27(28)32-31(33)34/h1-21H
InChIKeyBMFRQPHDCRHGTP-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.77
Rot. Bonds3

About 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole

5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 170284536) has the molecular formula C31H21N3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID170284536
Molecular FormulaC31H21N3
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3)cc2)cc1
InChIInChI=1S/C31H21N3/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)25-18-20-26(21-19-25)33-29-12-6-7-13-30(29)34-28-11-5-4-10-27(28)32-31(33)34/h1-21H
InChIKeyBMFRQPHDCRHGTP-UHFFFAOYSA-N
XLogP7.77
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 163539997
N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155430382
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
1-N,3-N-diphenyl-5-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 139482169
5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140948081
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139479683

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole (CID 170284536) is 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3)cc2)cc1.
What is the InChIKey of 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is BMFRQPHDCRHGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)25-18-20-26(21-19-25)33-29-12-6-7-13-30(29)34-28-11-5-4-10-27(28)32-31(33)34/h1-21H.
What are the key properties of 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole?
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 435.53 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 170284536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).