3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole

C51H36N2 — CID 89222158

IUPAC3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)NC(c4cccc(-c6ccccc6)c4)N5c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C51H36N2/c1-4-15-35(16-5-1)37-27-29-38(30-28-37)49-43-23-10-12-25-45(43)50(46-26-13-11-24-44(46)49)40-31-32-48-47(34-40)52-51(53(48)42-21-8-3-9-22-42)41-20-14-19-39(33-41)36-17-6-2-7-18-36/h1-34,51-52H
InChIKeyVJHWMMNIRLWUBU-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.92
Rot. Bonds6

About 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole

3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole (PubChem CID 89222158) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole
PubChem CID89222158
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)NC(c4cccc(-c6ccccc6)c4)N5c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C51H36N2/c1-4-15-35(16-5-1)37-27-29-38(30-28-37)49-43-23-10-12-25-45(43)50(46-26-13-11-24-44(46)49)40-31-32-48-47(34-40)52-51(53(48)42-21-8-3-9-22-42)41-20-14-19-39(33-41)36-17-6-2-7-18-36/h1-34,51-52H
InChIKeyVJHWMMNIRLWUBU-UHFFFAOYSA-N
XLogP13.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole;2-[3-[2-(3,5-diphenylphenyl)-10-(3-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine;2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 159036101
3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
CID 130241480
3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170061747
2-[4-[9-(1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-10-(4-phenylphenyl)anthracen-2-yl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 118617935
3-phenyl-2-[3-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-5-[4-phenyl-2-(3-phenylphenyl)-2H-azet-1-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170071803
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole
CID 145202352
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
2-ethyl-3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-1,2-dihydrobenzimidazole
CID 175630970
2-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 146413990
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole?
The IUPAC name of 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole (CID 89222158) is 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)NC(c4cccc(-c6ccccc6)c4)N5c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole?
The InChIKey is VJHWMMNIRLWUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-4-15-35(16-5-1)37-27-29-38(30-28-37)49-43-23-10-12-25-45(43)50(46-26-13-11-24-44(46)49)40-31-32-48-47(34-40)52-51(53(48)42-21-8-3-9-22-42)41-20-14-19-39(33-41)36-17-6-2-7-18-36/h1-34,51-52H.
What are the key properties of 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole?
3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole has a molecular weight of 676.86 g/mol, XLogP of 13.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole is sourced from PubChem (CID 89222158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).