2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole

C45H30N6 — CID 23146814

IUPAC2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(C2(c3cc(C4(c5ccccc5)N=c5ccccc5=N4)cc(C4(c5ccccc5)N=c5ccccc5=N4)c3)N=c3ccccc3=N2)cc1
InChIInChI=1S/C45H30N6/c1-4-16-31(17-5-1)43(46-37-22-10-11-23-38(37)47-43)34-28-35(44(32-18-6-2-7-19-32)48-39-24-12-13-25-40(39)49-44)30-36(29-34)45(33-20-8-3-9-21-33)50-41-26-14-15-27-42(41)51-45/h1-30H
InChIKeyOGOUEPNGJWIUIU-UHFFFAOYSA-N
MW654.78 g/mol
LogP5.15
Rot. Bonds6

About 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole

2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 23146814) has the molecular formula C45H30N6 and a molecular weight of 654.78 g/mol. Its IUPAC name is 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole
PubChem CID23146814
Molecular FormulaC45H30N6
Molecular Weight654.78 g/mol
Exact Mass654.25
IUPAC Name2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(C2(c3cc(C4(c5ccccc5)N=c5ccccc5=N4)cc(C4(c5ccccc5)N=c5ccccc5=N4)c3)N=c3ccccc3=N2)cc1
InChIInChI=1S/C45H30N6/c1-4-16-31(17-5-1)43(46-37-22-10-11-23-38(37)47-43)34-28-35(44(32-18-6-2-7-19-32)48-39-24-12-13-25-40(39)49-44)30-36(29-34)45(33-20-8-3-9-21-33)50-41-26-14-15-27-42(41)51-45/h1-30H
InChIKeyOGOUEPNGJWIUIU-UHFFFAOYSA-N
XLogP5.15
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.78
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole (CID 23146814) is 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole is c1ccc(C2(c3cc(C4(c5ccccc5)N=c5ccccc5=N4)cc(C4(c5ccccc5)N=c5ccccc5=N4)c3)N=c3ccccc3=N2)cc1.
What is the InChIKey of 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is OGOUEPNGJWIUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6/c1-4-16-31(17-5-1)43(46-37-22-10-11-23-38(37)47-43)34-28-35(44(32-18-6-2-7-19-32)48-39-24-12-13-25-40(39)49-44)30-36(29-34)45(33-20-8-3-9-21-33)50-41-26-14-15-27-42(41)51-45/h1-30H.
What are the key properties of 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole?
2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 654.78 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 23146814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).