2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

C45H30N6 — CID 66756861

IUPAC2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C45H30N6/c1-4-17-31(18-5-1)49-39-28-13-10-25-36(39)46-43(49)34-23-16-24-35(44-47-37-26-11-14-29-40(37)50(44)32-19-6-2-7-20-32)42(34)45-48-38-27-12-15-30-41(38)51(45)33-21-8-3-9-22-33/h1-30H
InChIKeyQWKWMRMSNXMFOE-UHFFFAOYSA-N
MW654.78 g/mol
LogP10.70
Rot. Bonds6

About 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 66756861) has the molecular formula C45H30N6 and a molecular weight of 654.78 g/mol. Its IUPAC name is 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID66756861
Molecular FormulaC45H30N6
Molecular Weight654.78 g/mol
Exact Mass654.25
IUPAC Name2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C45H30N6/c1-4-17-31(18-5-1)49-39-28-13-10-25-36(39)46-43(49)34-23-16-24-35(44-47-37-26-11-14-29-40(37)50(44)32-19-6-2-7-20-32)42(34)45-48-38-27-12-15-30-41(38)51(45)33-21-8-3-9-22-33/h1-30H
InChIKeyQWKWMRMSNXMFOE-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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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (CID 66756861) is 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is QWKWMRMSNXMFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6/c1-4-17-31(18-5-1)49-39-28-13-10-25-36(39)46-43(49)34-23-16-24-35(44-47-37-26-11-14-29-40(37)50(44)32-19-6-2-7-20-32)42(34)45-48-38-27-12-15-30-41(38)51(45)33-21-8-3-9-22-33/h1-30H.
What are the key properties of 2-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
2-[2,3-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-[2,3-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 66756861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).