2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

C45H30N6 — CID 141061579

IUPAC2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)c(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C45H30N6/c1-4-16-32(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-29-35(44-47-38-23-11-14-26-41(38)50(44)33-18-6-2-7-19-33)36(30-31)45-48-39-24-12-15-27-42(39)51(45)34-20-8-3-9-21-34/h1-30H
InChIKeyMSEYQAVFNUBPIM-UHFFFAOYSA-N
MW654.78 g/mol
LogP10.70
Rot. Bonds6

About 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 141061579) has the molecular formula C45H30N6 and a molecular weight of 654.78 g/mol. Its IUPAC name is 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID141061579
Molecular FormulaC45H30N6
Molecular Weight654.78 g/mol
Exact Mass654.25
IUPAC Name2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)c(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C45H30N6/c1-4-16-32(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-29-35(44-47-38-23-11-14-26-41(38)50(44)33-18-6-2-7-19-33)36(30-31)45-48-39-24-12-15-27-42(39)51(45)34-20-8-3-9-21-34/h1-30H
InChIKeyMSEYQAVFNUBPIM-UHFFFAOYSA-N
XLogP10.70
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.78
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
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CID 58500891
4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline
CID 175047355
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
CID 90075826
2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1-phenylbenzimidazole
CID 118145553
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (CID 141061579) is 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)c(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is MSEYQAVFNUBPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6/c1-4-16-32(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-29-35(44-47-38-23-11-14-26-41(38)50(44)33-18-6-2-7-19-33)36(30-31)45-48-39-24-12-15-27-42(39)51(45)34-20-8-3-9-21-34/h1-30H.
What are the key properties of 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 654.78 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 141061579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).