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

C48H32N4 — CID 155306971

IUPAC2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc(-c4cccc5ccccc45)cc(-c4nc5ccccc5n4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H32N4/c1-3-16-34(17-4-1)46-47(51-28-12-11-27-45(51)50-46)36-20-13-19-35(29-36)37-30-38(42-24-14-18-33-15-7-8-23-41(33)42)32-39(31-37)48-49-43-25-9-10-26-44(43)52(48)40-21-5-2-6-22-40/h1-32H
InChIKeyLRCWISBMIQGPBN-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.16
Rot. Bonds6

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

2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole (PubChem CID 155306971) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole
PubChem CID155306971
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc(-c4cccc5ccccc45)cc(-c4nc5ccccc5n4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H32N4/c1-3-16-34(17-4-1)46-47(51-28-12-11-27-45(51)50-46)36-20-13-19-35(29-36)37-30-38(42-24-14-18-33-15-7-8-23-41(33)42)32-39(31-37)48-49-43-25-9-10-26-44(43)52(48)40-21-5-2-6-22-40/h1-32H
InChIKeyLRCWISBMIQGPBN-UHFFFAOYSA-N
XLogP12.16
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164781287
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
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-[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-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991
2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-1-ylphenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 164781104
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole (CID 155306971) is 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole is c1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc(-c4cccc5ccccc45)cc(-c4nc5ccccc5n4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole?
The InChIKey is LRCWISBMIQGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-3-16-34(17-4-1)46-47(51-28-12-11-27-45(51)50-46)36-20-13-19-35(29-36)37-30-38(42-24-14-18-33-15-7-8-23-41(33)42)32-39(31-37)48-49-43-25-9-10-26-44(43)52(48)40-21-5-2-6-22-40/h1-32H.
What are the key properties of 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole?
2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole has a molecular weight of 664.81 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 155306971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).