1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole

C51H38N2 — CID 70822200

IUPAC1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole
SMILESCc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(-c5nc6ccccc6n5C5=CC=CCC5)cc4)ccc2-3)cc1
InChIInChI=1S/C51H38N2/c1-35-21-23-36(24-22-35)39-29-31-44-45-32-30-40(34-47(45)51(46(44)33-39,41-13-5-2-6-14-41)42-15-7-3-8-16-42)37-25-27-38(28-26-37)50-52-48-19-11-12-20-49(48)53(50)43-17-9-4-10-18-43/h2-9,11-17,19-34H,10,18H2,1H3
InChIKeyWRINZCSKXCLJQF-UHFFFAOYSA-N
MW678.88 g/mol
LogP12.90
Rot. Bonds6

About 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole

1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole (PubChem CID 70822200) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole
PubChem CID70822200
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole
SMILESCc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(-c5nc6ccccc6n5C5=CC=CCC5)cc4)ccc2-3)cc1
InChIInChI=1S/C51H38N2/c1-35-21-23-36(24-22-35)39-29-31-44-45-32-30-40(34-47(45)51(46(44)33-39,41-13-5-2-6-14-41)42-15-7-3-8-16-42)37-25-27-38(28-26-37)50-52-48-19-11-12-20-49(48)53(50)43-17-9-4-10-18-43/h2-9,11-17,19-34H,10,18H2,1H3
InChIKeyWRINZCSKXCLJQF-UHFFFAOYSA-N
XLogP12.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 149340747
2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 58894769
2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 129163447
2-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 88966254
1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole
CID 59245495
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole
CID 167084476
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-cyclohexa-1,3-dien-1-yl-1-[4-[6-phenyl-9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]benzimidazole
CID 143119528
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole (CID 70822200) is 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole is Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(-c5nc6ccccc6n5C5=CC=CCC5)cc4)ccc2-3)cc1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole?
The InChIKey is WRINZCSKXCLJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-35-21-23-36(24-22-35)39-29-31-44-45-32-30-40(34-47(45)51(46(44)33-39,41-13-5-2-6-14-41)42-15-7-3-8-16-42)37-25-27-38(28-26-37)50-52-48-19-11-12-20-49(48)53(50)43-17-9-4-10-18-43/h2-9,11-17,19-34H,10,18H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole?
1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole has a molecular weight of 678.88 g/mol, XLogP of 12.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 70822200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).