2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole

C49H34N2 — CID 58894769

IUPAC2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4cc(-c5nc6ccccc6n5-c5ccccc5)ccc4c3)ccc1-2
InChIInChI=1S/C49H34N2/c1-33-21-27-42-43-28-26-37(32-45(43)49(44(42)29-33,39-13-5-2-6-14-39)40-15-7-3-8-16-40)35-22-23-36-31-38(25-24-34(36)30-35)48-50-46-19-11-12-20-47(46)51(48)41-17-9-4-10-18-41/h2-32H,1H3
InChIKeyCCIMLFONJRBZEN-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.18
Rot. Bonds5

About 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole

2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole (PubChem CID 58894769) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
PubChem CID58894769
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4cc(-c5nc6ccccc6n5-c5ccccc5)ccc4c3)ccc1-2
InChIInChI=1S/C49H34N2/c1-33-21-27-42-43-28-26-37(32-45(43)49(44(42)29-33,39-13-5-2-6-14-39)40-15-7-3-8-16-40)35-22-23-36-31-38(25-24-34(36)30-35)48-50-46-19-11-12-20-47(46)51(48)41-17-9-4-10-18-41/h2-32H,1H3
InChIKeyCCIMLFONJRBZEN-UHFFFAOYSA-N
XLogP12.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole
CID 59245495
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
CID 23590277
CID 23590277
1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole
CID 70822200
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole
CID 138574311
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232

Frequently Asked Questions

What is the IUPAC name of 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole (CID 58894769) is 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4cc(-c5nc6ccccc6n5-c5ccccc5)ccc4c3)ccc1-2.
What is the InChIKey of 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The InChIKey is CCIMLFONJRBZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-33-21-27-42-43-28-26-37(32-45(43)49(44(42)29-33,39-13-5-2-6-14-39)40-15-7-3-8-16-40)35-22-23-36-31-38(25-24-34(36)30-35)48-50-46-19-11-12-20-47(46)51(48)41-17-9-4-10-18-41/h2-32H,1H3.
What are the key properties of 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole has a molecular weight of 650.83 g/mol, XLogP of 12.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 58894769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).