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

C80H58Cu2F12N8 — CID 59012316

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

bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline) (PubChem CID 59012316) has the molecular formula C80H58Cu2F12N8 and a molecular weight of 1486.47 g/mol. Its IUPAC name is bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline).

Molecular Properties

• Compound Name: bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline)
• PubChem CID: 59012316
• Molecular Formula: C80H58Cu2F12N8
• Molecular Weight: 1486.47 g/mol
• Exact Mass: 1484.32
• IUPAC Name: bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline)
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cc5ccccc5cn4)c3)cc2)cc1.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.[Cu+].[Cu+]
• InChI: InChI=1S/2C35H28N2.2C5HF6N2.2Cu/c2*1-25-10-16-32(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;2*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;/h2*3-24H,1-2H3;2*1H;;/q;;2*-1;2*+1
• InChIKey: NCSZCBJDCJZDFV-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 86.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1486.47
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline) (CID 59012316) is bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline).

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

The canonical SMILES for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline) is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cc5ccccc5cn4)c3)cc2)cc1.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.[Cu+].[Cu+].

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

The InChIKey is NCSZCBJDCJZDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H28N2.2C5HF6N2.2Cu/c2*1-25-10-16-32(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;2*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;/h2*3-24H,1-2H3;2*1H;;/q;;2*-1;2*+1.

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

bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline) has a molecular weight of 1486.47 g/mol, XLogP of 23.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline) is sourced from PubChem (CID 59012316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).