2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine

C73H49F6N9 — CID 91366751

IUPAC2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
SMILESCc1nc2ccccc2n1-c1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)nc1-c1ccccc1-c1ccccc1.FC(F)(F)c1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C43H31N3.C30H18F6N6/c1-30-44-40-25-13-15-27-42(40)46(30)41-26-14-12-23-36(41)34-21-9-10-22-35(34)38-28-29-39(32-18-6-3-7-19-32)45-43(38)37-24-11-8-20-33(37)31-16-4-2-5-17-31;31-29(32,33)25-13-17-41(39-25)23-11-3-1-7-19(23)21-9-5-15-37-27(21)28-22(10-6-16-38-28)20-8-2-4-12-24(20)42-18-14-26(40-42)30(34,35)36/h2-29H,1H3;1-18H
InChIKeyFGBNEBUDGIXINV-UHFFFAOYSA-N
MW1166.25 g/mol
LogP18.95
Rot. Bonds11

About 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine

2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine (PubChem CID 91366751) has the molecular formula C73H49F6N9 and a molecular weight of 1166.25 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
PubChem CID91366751
Molecular FormulaC73H49F6N9
Molecular Weight1166.25 g/mol
Exact Mass1165.40
IUPAC Name2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
SMILESCc1nc2ccccc2n1-c1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)nc1-c1ccccc1-c1ccccc1.FC(F)(F)c1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C43H31N3.C30H18F6N6/c1-30-44-40-25-13-15-27-42(40)46(30)41-26-14-12-23-36(41)34-21-9-10-22-35(34)38-28-29-39(32-18-6-3-7-19-32)45-43(38)37-24-11-8-20-33(37)31-16-4-2-5-17-31;31-29(32,33)25-13-17-41(39-25)23-11-3-1-7-19(23)21-9-5-15-37-27(21)28-22(10-6-16-38-28)20-8-2-4-12-24(20)42-18-14-26(40-42)30(34,35)36/h2-29H,1H3;1-18H
InChIKeyFGBNEBUDGIXINV-UHFFFAOYSA-N
XLogP18.95
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.25
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine (CID 91366751) is 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine is Cc1nc2ccccc2n1-c1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)nc1-c1ccccc1-c1ccccc1.FC(F)(F)c1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine?
The InChIKey is FGBNEBUDGIXINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3.C30H18F6N6/c1-30-44-40-25-13-15-27-42(40)46(30)41-26-14-12-23-36(41)34-21-9-10-22-35(34)38-28-29-39(32-18-6-3-7-19-32)45-43(38)37-24-11-8-20-33(37)31-16-4-2-5-17-31;31-29(32,33)25-13-17-41(39-25)23-11-3-1-7-19(23)21-9-5-15-37-27(21)28-22(10-6-16-38-28)20-8-2-4-12-24(20)42-18-14-26(40-42)30(34,35)36/h2-29H,1H3;1-18H.
What are the key properties of 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine?
2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine has a molecular weight of 1166.25 g/mol, XLogP of 18.95, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 91366751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).