4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole

C30H20N4 — CID 164845252

IUPAC4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cccc3c2nc2n(-c4cccc(-c5ccccn5)c4)c4ccccc4n32)cc1
InChIInChI=1S/C30H20N4/c1-2-10-21(11-3-1)24-14-9-18-28-29(24)32-30-33(26-16-4-5-17-27(26)34(28)30)23-13-8-12-22(20-23)25-15-6-7-19-31-25/h1-20H
InChIKeyIJUCAMTXRPBDNP-UHFFFAOYSA-N
MW436.52 g/mol
LogP7.16
Rot. Bonds3

About 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole

4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 164845252) has the molecular formula C30H20N4 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID164845252
Molecular FormulaC30H20N4
Molecular Weight436.52 g/mol
Exact Mass436.17
IUPAC Name4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cccc3c2nc2n(-c4cccc(-c5ccccn5)c4)c4ccccc4n32)cc1
InChIInChI=1S/C30H20N4/c1-2-10-21(11-3-1)24-14-9-18-28-29(24)32-30-33(26-16-4-5-17-27(26)34(28)30)23-13-8-12-22(20-23)25-15-6-7-19-31-25/h1-20H
InChIKeyIJUCAMTXRPBDNP-UHFFFAOYSA-N
XLogP7.16
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol
CID 164823466
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923359
3-N,3-N,10-N,10-N-tetraphenyl-15-(3-pyridin-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125561
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(6-phenylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]imidazol-2-yl]phenol
CID 168721298
[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylphenyl)boranyl]phenyl]-3-(4-methylphenyl)benzimidazol-2-ylidene]platinum
CID 162500130
5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932542
3-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;5-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-1-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-1-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-4-(6-phenylbenzimidazolo[1,2-a]benzimidazol-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 158744801
16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
CID 139497770
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 164845252) is 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cccc3c2nc2n(-c4cccc(-c5ccccn5)c4)c4ccccc4n32)cc1.
What is the InChIKey of 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is IJUCAMTXRPBDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4/c1-2-10-21(11-3-1)24-14-9-18-28-29(24)32-30-33(26-16-4-5-17-27(26)34(28)30)23-13-8-12-22(20-23)25-15-6-7-19-31-25/h1-20H.
What are the key properties of 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole?
4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 436.52 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 164845252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).