1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole

C51H34N2 — CID 58953833

IUPAC1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-n4c(-c5ccccc5)nc5ccccc54)ccc23)cc1
InChIInChI=1S/C51H34N2/c1-4-18-35(19-5-1)39-24-10-12-26-41(39)49-43-28-14-15-29-44(43)50(42-27-13-11-25-40(42)36-20-6-2-7-21-36)46-34-38(32-33-45(46)49)53-48-31-17-16-30-47(48)52-51(53)37-22-8-3-9-23-37/h1-34H
InChIKeyODMYTVNVLXALMW-UHFFFAOYSA-N
MW674.85 g/mol
LogP13.67
Rot. Bonds6

About 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole

1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole (PubChem CID 58953833) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
PubChem CID58953833
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-n4c(-c5ccccc5)nc5ccccc54)ccc23)cc1
InChIInChI=1S/C51H34N2/c1-4-18-35(19-5-1)39-24-10-12-26-41(39)49-43-28-14-15-29-44(43)50(42-27-13-11-25-40(42)36-20-6-2-7-21-36)46-34-38(32-33-45(46)49)53-48-31-17-16-30-47(48)52-51(53)37-22-8-3-9-23-37/h1-34H
InChIKeyODMYTVNVLXALMW-UHFFFAOYSA-N
XLogP13.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953790
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[4-[10-(2-cyclohexa-1,5-dien-1-ylphenyl)-9-(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 166907609

Frequently Asked Questions

What is the IUPAC name of 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole (CID 58953833) is 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-n4c(-c5ccccc5)nc5ccccc54)ccc23)cc1.
What is the InChIKey of 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole?
The InChIKey is ODMYTVNVLXALMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-4-18-35(19-5-1)39-24-10-12-26-41(39)49-43-28-14-15-29-44(43)50(42-27-13-11-25-40(42)36-20-6-2-7-21-36)46-34-38(32-33-45(46)49)53-48-31-17-16-30-47(48)52-51(53)37-22-8-3-9-23-37/h1-34H.
What are the key properties of 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole?
1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole has a molecular weight of 674.85 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 58953833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).