copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline

C113H66Cu6F36N18+ — CID 158738201

About copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline

copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline (PubChem CID 158738201) has the molecular formula C113H66Cu6F36N18+ and a molecular weight of 2741.10 g/mol. Its IUPAC name is copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline.

Molecular Properties

• Compound Name: copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline
• PubChem CID: 158738201
• Molecular Formula: C113H66Cu6F36N18+
• Molecular Weight: 2741.10 g/mol
• Exact Mass: 2736.09
• IUPAC Name: copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cc5ccccc5cn4)c3)cc2)cc1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+2].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.c1ccc2nc(-c3ccc(-c4ccc5ccccc5n4)cc3)ccc2c1
• InChI: InChI=1S/C35H28N2.2C24H16N2.6C5HF6N2.6Cu/c1-25-10-16-32(17-11-25)37(33-18-12-26(2)13-19-33)34-20-14-27(15-21-34)28-8-5-9-30(22-28)35-23-29-6-3-4-7-31(29)24-36-35;1-3-7-21-17(5-1)13-15-25-23(21)19-9-11-20(12-10-19)24-22-8-4-2-6-18(22)14-16-26-24;1-3-7-21-17(5-1)13-15-23(25-21)19-9-11-20(12-10-19)24-16-14-18-6-2-4-8-22(18)26-24;6*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;/h3-24H,1-2H3;2*1-16H;6*1H;;;;;;/q;;;6*-1;5*+1;+2
• InChIKey: UILVXGDDNDHBMZ-UHFFFAOYSA-N
• XLogP: 34.33
• TPSA: 229.63 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2741.10
LogP ≤ 5	34.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline?

The IUPAC name of copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline (CID 158738201) is copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline.

What is the SMILES notation for copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline?

The canonical SMILES for copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cc5ccccc5cn4)c3)cc2)cc1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+2].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.c1ccc2nc(-c3ccc(-c4ccc5ccccc5n4)cc3)ccc2c1.

What is the InChIKey of copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline?

The InChIKey is UILVXGDDNDHBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2.2C24H16N2.6C5HF6N2.6Cu/c1-25-10-16-32(17-11-25)37(33-18-12-26(2)13-19-33)34-20-14-27(15-21-34)28-8-5-9-30(22-28)35-23-29-6-3-4-7-31(29)24-36-35;1-3-7-21-17(5-1)13-15-25-23(21)19-9-11-20(12-10-19)24-22-8-4-2-6-18(22)14-16-26-24;1-3-7-21-17(5-1)13-15-23(25-21)19-9-11-20(12-10-19)24-16-14-18-6-2-4-8-22(18)26-24;6*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;/h3-24H,1-2H3;2*1-16H;6*1H;;;;;;/q;;;6*-1;5*+1;+2.

What are the key properties of copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline?

copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline has a molecular weight of 2741.10 g/mol, XLogP of 34.33, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for copper;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline;N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-(4-quinolin-2-ylphenyl)quinoline is sourced from PubChem (CID 158738201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).