2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole

C70H54N2 — CID 166842311

IUPAC2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole
SMILESCC1CC=CC=C1C1C=C(c2c3c(c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc24)=CCCC=3)C=C(c2ccccc2)C1
InChIInChI=1S/C70H54N2/c1-47-20-14-15-29-61(47)57-41-56(50-25-10-4-11-26-50)44-59(45-57)69-63-31-17-16-30-62(63)68(58-42-54(48-21-6-2-7-22-48)40-55(43-58)49-23-8-3-9-24-49)64-39-38-53(46-65(64)69)51-34-36-52(37-35-51)70-71-66-32-18-19-33-67(66)72(70)60-27-12-5-13-28-60/h2-15,18-19,21-40,42-47,57H,16-17,20,41H2,1H3
InChIKeyKGRSKTRUZDDGNL-UHFFFAOYSA-N
MW923.22 g/mol
LogP16.88
Rot. Bonds9

About 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole

2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 166842311) has the molecular formula C70H54N2 and a molecular weight of 923.22 g/mol. Its IUPAC name is 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole
PubChem CID166842311
Molecular FormulaC70H54N2
Molecular Weight923.22 g/mol
Exact Mass922.43
IUPAC Name2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole
SMILESCC1CC=CC=C1C1C=C(c2c3c(c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc24)=CCCC=3)C=C(c2ccccc2)C1
InChIInChI=1S/C70H54N2/c1-47-20-14-15-29-61(47)57-41-56(50-25-10-4-11-26-50)44-59(45-57)69-63-31-17-16-30-62(63)68(58-42-54(48-21-6-2-7-22-48)40-55(43-58)49-23-8-3-9-24-49)64-39-38-53(46-65(64)69)51-34-36-52(37-35-51)70-71-66-32-18-19-33-67(66)72(70)60-27-12-5-13-28-60/h2-15,18-19,21-40,42-47,57H,16-17,20,41H2,1H3
InChIKeyKGRSKTRUZDDGNL-UHFFFAOYSA-N
XLogP16.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.22
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole with MolForge

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Related Compounds

2-[4-[10-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155323529
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 149340747
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[4-[9-(3,5-diphenylphenyl)-10-[3-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylphenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155335220
2-[4-[10-(2-cyclohexa-1,5-dien-1-ylphenyl)-9-(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 166907609
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,5-dien-1-ylbenzimidazole
CID 146493059
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
2-[9-[(1R)-cyclohexa-2,4-dien-1-yl]-10-(4-phenylphenyl)anthracen-2-yl]-1-phenylbenzimidazole
CID 155064850
2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 134389370

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole (CID 166842311) is 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole is CC1CC=CC=C1C1C=C(c2c3c(c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc24)=CCCC=3)C=C(c2ccccc2)C1.
What is the InChIKey of 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is KGRSKTRUZDDGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N2/c1-47-20-14-15-29-61(47)57-41-56(50-25-10-4-11-26-50)44-59(45-57)69-63-31-17-16-30-62(63)68(58-42-54(48-21-6-2-7-22-48)40-55(43-58)49-23-8-3-9-24-49)64-39-38-53(46-65(64)69)51-34-36-52(37-35-51)70-71-66-32-18-19-33-67(66)72(70)60-27-12-5-13-28-60/h2-15,18-19,21-40,42-47,57H,16-17,20,41H2,1H3.
What are the key properties of 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole?
2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 923.22 g/mol, XLogP of 16.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 166842311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).