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

C80H58Cu2F12N8 — CID 59012306

IUPACbis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cc5ccccc5cn4)c3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cnc5ccccc5c4)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+]
InChIInChI=1S/2C35H28N2.2C5HF6N2.2Cu/c1-25-10-16-32(17-11-25)37(33-18-12-26(2)13-19-33)34-20-14-27(15-21-34)28-7-5-8-29(22-28)31-23-30-6-3-4-9-35(30)36-24-31;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
InChIKeyQXJKZXNJOAZTNW-UHFFFAOYSA-N
MW1486.47 g/mol
LogP23.46
Rot. Bonds10

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

bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline (PubChem CID 59012306) 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+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Namebis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
PubChem CID59012306
Molecular FormulaC80H58Cu2F12N8
Molecular Weight1486.47 g/mol
Exact Mass1484.32
IUPAC Namebis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cc5ccccc5cn4)c3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cnc5ccccc5c4)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+]
InChIInChI=1S/2C35H28N2.2C5HF6N2.2Cu/c1-25-10-16-32(17-11-25)37(33-18-12-26(2)13-19-33)34-20-14-27(15-21-34)28-7-5-8-29(22-28)31-23-30-6-3-4-9-35(30)36-24-31;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
InChIKeyQXJKZXNJOAZTNW-UHFFFAOYSA-N
XLogP23.46
TPSA86.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.47
LogP ≤ 523.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 162675739
US10174024, Example 77
CID 122689894
3-(1-Methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)-1-pyridin-4-ylindole
CID 71508682
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
CID 71508683
3-(1-Methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylindole
CID 71508684
6-[[6-(1-Methylpyrazol-4-yl)indazol-1-yl]methyl]quinoline
CID 71739682
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-(1-methylpyrazol-4-yl)triazolo[4,5-c]quinoline
CID 137634638
6-(Difluoromethyl)-4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline
CID 155536704
3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990629
US10174024, Example 75
CID 122689899

Frequently Asked Questions

What is the IUPAC name of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline?
The IUPAC name of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline (CID 59012306) is bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline.
What is the SMILES notation for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline?
The canonical SMILES for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cc5ccccc5cn4)c3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cnc5ccccc5c4)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+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline?
The InChIKey is QXJKZXNJOAZTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H28N2.2C5HF6N2.2Cu/c1-25-10-16-32(17-11-25)37(33-18-12-26(2)13-19-33)34-20-14-27(15-21-34)28-7-5-8-29(22-28)31-23-30-6-3-4-9-35(30)36-24-31;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+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline?
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]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+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline is sourced from PubChem (CID 59012306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).