2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole

C53H35N5 — CID 58556594

IUPAC2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3c2ccc2c(-c4cccc(-c5ccncc5)n4)cccc23)cc1
InChIInChI=1S/C53H35N5/c1-4-14-37(15-5-1)50-45-31-30-42-43(47-24-13-23-46(55-47)36-32-34-54-35-33-36)20-12-21-44(42)52(45)58(51(50)38-16-6-2-7-17-38)41-28-26-39(27-29-41)53-56-48-22-10-11-25-49(48)57(53)40-18-8-3-9-19-40/h1-35H
InChIKeyLHFPPDMUCRUFGW-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.25
Rot. Bonds7

About 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole

2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole (PubChem CID 58556594) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole.

Molecular Properties

Compound Name2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
PubChem CID58556594
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3c2ccc2c(-c4cccc(-c5ccncc5)n4)cccc23)cc1
InChIInChI=1S/C53H35N5/c1-4-14-37(15-5-1)50-45-31-30-42-43(47-24-13-23-46(55-47)36-32-34-54-35-33-36)20-12-21-44(42)52(45)58(51(50)38-16-6-2-7-17-38)41-28-26-39(27-29-41)53-56-48-22-10-11-25-49(48)57(53)40-18-8-3-9-19-40/h1-35H
InChIKeyLHFPPDMUCRUFGW-UHFFFAOYSA-N
XLogP13.25
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole
CID 58175268
3-[4-(3H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylnaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole
CID 159098605
1-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
CID 58556607
3,4-dimethyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-(6-pyridin-4-yl-2-pyridinyl)-5-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),3,7,9,11,14,16,18,20-decaene
CID 58454119
3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-6,9-dihydronaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole
CID 159940548
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155029591
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
CID 59182934

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole?
The IUPAC name of 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole (CID 58556594) is 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole.
What is the SMILES notation for 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole?
The canonical SMILES for 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole is c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3c2ccc2c(-c4cccc(-c5ccncc5)n4)cccc23)cc1.
What is the InChIKey of 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole?
The InChIKey is LHFPPDMUCRUFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-4-14-37(15-5-1)50-45-31-30-42-43(47-24-13-23-46(55-47)36-32-34-54-35-33-36)20-12-21-44(42)52(45)58(51(50)38-16-6-2-7-17-38)41-28-26-39(27-29-41)53-56-48-22-10-11-25-49(48)57(53)40-18-8-3-9-19-40/h1-35H.
What are the key properties of 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole?
2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole has a molecular weight of 741.90 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole is sourced from PubChem (CID 58556594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).