2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole

C48H38N2 — CID 58471989

IUPAC2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole
SMILESCC(C)Cc1ccc(C2(c3cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C48H38N2/c1-33(2)31-34-23-29-38(30-24-34)48(43-19-8-6-17-41(43)42-18-7-9-20-44(42)48)39-14-12-13-37(32-39)35-25-27-36(28-26-35)47-49-45-21-10-11-22-46(45)50(47)40-15-4-3-5-16-40/h3-30,32-33H,31H2,1-2H3
InChIKeyCWGLDFWUBQKULI-UHFFFAOYSA-N
MW642.85 g/mol
LogP11.92
Rot. Bonds7

About 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole

2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole (PubChem CID 58471989) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole
PubChem CID58471989
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC Name2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole
SMILESCC(C)Cc1ccc(C2(c3cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C48H38N2/c1-33(2)31-34-23-29-38(30-24-34)48(43-19-8-6-17-41(43)42-18-7-9-20-44(42)48)39-14-12-13-37(32-39)35-25-27-36(28-26-35)47-49-45-21-10-11-22-46(45)50(47)40-15-4-3-5-16-40/h3-30,32-33H,31H2,1-2H3
InChIKeyCWGLDFWUBQKULI-UHFFFAOYSA-N
XLogP11.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 59413542
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 142453614
1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole
CID 59245495
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-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-5-naphthalen-1-yl-1,3,4-oxadiazole
CID 58471983
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-(2-methylpropyl)carbazole;9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole;9-[4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole
CID 157478777
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
2-(9,9-dimethylfluoren-2-yl)-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-(9,9-diphenylfluoren-2-yl)-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-naphthalen-1-yl-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(2-phenylphenyl)quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(3-phenylphenyl)quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(9,9'-spirobi[fluorene]-2-yl)quinoxaline
CID 159070372
10,10-diphenyl-21-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129123975

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole (CID 58471989) is 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole is CC(C)Cc1ccc(C2(c3cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The InChIKey is CWGLDFWUBQKULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-33(2)31-34-23-29-38(30-24-34)48(43-19-8-6-17-41(43)42-18-7-9-20-44(42)48)39-14-12-13-37(32-39)35-25-27-36(28-26-35)47-49-45-21-10-11-22-46(45)50(47)40-15-4-3-5-16-40/h3-30,32-33H,31H2,1-2H3.
What are the key properties of 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole?
2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole has a molecular weight of 642.85 g/mol, XLogP of 11.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 58471989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).