9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole

C38H34FN3 — CID 118041658

IUPAC9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccc(F)cc4)cc3C(C)C)c12
InChIInChI=1S/C38H34FN3/c1-23(2)31-21-27(26-17-19-28(39)20-18-26)22-32(24(3)4)37(31)42-35-16-9-7-14-33(35)40-38(42)41-34-15-8-6-12-29(34)30-13-10-11-25(5)36(30)41/h6-24H,1-5H3
InChIKeySRSQAQBAKJDEEO-UHFFFAOYSA-N
MW551.71 g/mol
LogP10.48
Rot. Bonds5

About 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole

9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole (PubChem CID 118041658) has the molecular formula C38H34FN3 and a molecular weight of 551.71 g/mol. Its IUPAC name is 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole.

Molecular Properties

Compound Name9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole
PubChem CID118041658
Molecular FormulaC38H34FN3
Molecular Weight551.71 g/mol
Exact Mass551.27
IUPAC Name9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccc(F)cc4)cc3C(C)C)c12
InChIInChI=1S/C38H34FN3/c1-23(2)31-21-27(26-17-19-28(39)20-18-26)22-32(24(3)4)37(31)42-35-16-9-7-14-33(35)40-38(42)41-34-15-8-6-12-29(34)30-13-10-11-25(5)36(30)41/h6-24H,1-5H3
InChIKeySRSQAQBAKJDEEO-UHFFFAOYSA-N
XLogP10.48
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.71
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole
CID 170293664
1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
CID 159030794
2-(7-fluoro-1-methyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316047
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668460
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(8-propan-2-yldibenzothiophen-2-yl)benzimidazole
CID 156660137
9-methyl-4-(2-phenylbenzimidazol-1-yl)-1,3-di(propan-2-yl)carbazole
CID 58400928
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
2-(4-methyldibenzofuran-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156658716
2-(6,8-difluoro-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176583813
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
2-(8-methyldibenzothiophen-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657347

Frequently Asked Questions

What is the IUPAC name of 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole?
The IUPAC name of 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole (CID 118041658) is 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole.
What is the SMILES notation for 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole?
The canonical SMILES for 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole is Cc1cccc2c3ccccc3n(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccc(F)cc4)cc3C(C)C)c12.
What is the InChIKey of 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole?
The InChIKey is SRSQAQBAKJDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34FN3/c1-23(2)31-21-27(26-17-19-28(39)20-18-26)22-32(24(3)4)37(31)42-35-16-9-7-14-33(35)40-38(42)41-34-15-8-6-12-29(34)30-13-10-11-25(5)36(30)41/h6-24H,1-5H3.
What are the key properties of 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole?
9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole has a molecular weight of 551.71 g/mol, XLogP of 10.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole is sourced from PubChem (CID 118041658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).