2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole

C43H33N3 — CID 58489476

IUPAC2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C43H33N3/c1-30-12-16-34(17-13-30)40-28-29-41(35-18-14-31(2)15-19-35)45(40)38-26-24-33(25-27-38)32-20-22-36(23-21-32)43-44-39-10-6-7-11-42(39)46(43)37-8-4-3-5-9-37/h3-29H,1-2H3
InChIKeyDWMJRJAASQWPKK-UHFFFAOYSA-N
MW591.76 g/mol
LogP11.10
Rot. Bonds6

About 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole

2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole (PubChem CID 58489476) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
PubChem CID58489476
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC Name2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C43H33N3/c1-30-12-16-34(17-13-30)40-28-29-41(35-18-14-31(2)15-19-35)45(40)38-26-24-33(25-27-38)32-20-22-36(23-21-32)43-44-39-10-6-7-11-42(39)46(43)37-8-4-3-5-9-37/h3-29H,1-2H3
InChIKeyDWMJRJAASQWPKK-UHFFFAOYSA-N
XLogP11.10
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole (CID 58489476) is 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole is Cc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The InChIKey is DWMJRJAASQWPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3/c1-30-12-16-34(17-13-30)40-28-29-41(35-18-14-31(2)15-19-35)45(40)38-26-24-33(25-27-38)32-20-22-36(23-21-32)43-44-39-10-6-7-11-42(39)46(43)37-8-4-3-5-9-37/h3-29H,1-2H3.
What are the key properties of 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole?
2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole has a molecular weight of 591.76 g/mol, XLogP of 11.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 58489476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).