5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline

C51H33N5 — CID 59182934

IUPAC5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
SMILESc1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cnccc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C51H33N5/c1-3-13-38(14-4-1)55-46-21-11-9-19-44(46)53-50(55)36-27-23-34(24-28-36)48-40-17-7-8-18-41(40)49(43-33-52-32-31-42(43)48)35-25-29-37(30-26-35)51-54-45-20-10-12-22-47(45)56(51)39-15-5-2-6-16-39/h1-33H
InChIKeyUIQOOGIORTXIPT-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline

5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline (PubChem CID 59182934) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
PubChem CID59182934
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
SMILESc1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cnccc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C51H33N5/c1-3-13-38(14-4-1)55-46-21-11-9-19-44(46)53-50(55)36-27-23-34(24-28-36)48-40-17-7-8-18-41(40)49(43-33-52-32-31-42(43)48)35-25-29-37(30-26-35)51-54-45-20-10-12-22-47(45)56(51)39-15-5-2-6-16-39/h1-33H
InChIKeyUIQOOGIORTXIPT-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
CID 166656592
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934

Frequently Asked Questions

What is the IUPAC name of 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline?
The IUPAC name of 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline (CID 59182934) is 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline.
What is the SMILES notation for 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline?
The canonical SMILES for 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline is c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cnccc45)cc3)nc3ccccc32)cc1.
What is the InChIKey of 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline?
The InChIKey is UIQOOGIORTXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-13-38(14-4-1)55-46-21-11-9-19-44(46)53-50(55)36-27-23-34(24-28-36)48-40-17-7-8-18-41(40)49(43-33-52-32-31-42(43)48)35-25-29-37(30-26-35)51-54-45-20-10-12-22-47(45)56(51)39-15-5-2-6-16-39/h1-33H.
What are the key properties of 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline?
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline is sourced from PubChem (CID 59182934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).