1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole

C50H34N4 — CID 164781287

IUPAC1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
SMILESc1ccc(-c2cc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)c2)cc1
InChIInChI=1S/C50H34N4/c1-4-16-35(17-5-1)41-32-42(37-20-14-22-39(30-37)49-48(36-18-6-2-7-19-36)52-47-28-12-13-29-53(47)49)34-43(33-41)38-21-15-23-40(31-38)50-51-45-26-10-11-27-46(45)54(50)44-24-8-3-9-25-44/h1-34H
InChIKeyPXIAWLOICJHTFN-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.68
Rot. Bonds7

About 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole

1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole (PubChem CID 164781287) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
PubChem CID164781287
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
SMILESc1ccc(-c2cc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)c2)cc1
InChIInChI=1S/C50H34N4/c1-4-16-35(17-5-1)41-32-42(37-20-14-22-39(30-37)49-48(36-18-6-2-7-19-36)52-47-28-12-13-29-53(47)49)34-43(33-41)38-21-15-23-40(31-38)50-51-45-26-10-11-27-46(45)54(50)44-24-8-3-9-25-44/h1-34H
InChIKeyPXIAWLOICJHTFN-UHFFFAOYSA-N
XLogP12.68
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole
CID 155307576
1-phenyl-2-[4-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306860
2-phenyl-1-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164781227
2-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole
CID 164781143
2-phenyl-1-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306933
2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 155306971
2-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 164781173
2-[3-[3-naphthalen-1-yl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-naphthalen-1-yl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;2-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164958744
1,2-diphenyl-6-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole;1-[3-[3-naphthalen-1-yl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-phenylbenzimidazole;1-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-phenylbenzimidazole;2-phenyl-1-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 165032735
9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393336
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole (CID 164781287) is 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole is c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)c2)cc1.
What is the InChIKey of 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole?
The InChIKey is PXIAWLOICJHTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-4-16-35(17-5-1)41-32-42(37-20-14-22-39(30-37)49-48(36-18-6-2-7-19-36)52-47-28-12-13-29-53(47)49)34-43(33-41)38-21-15-23-40(31-38)50-51-45-26-10-11-27-46(45)54(50)44-24-8-3-9-25-44/h1-34H.
What are the key properties of 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole?
1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole has a molecular weight of 690.85 g/mol, XLogP of 12.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole is sourced from PubChem (CID 164781287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).