tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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

C108H88B2Cu4F24N14 — CID 158810104

IUPACtetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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
SMILESCCB(CC)c1cccnc1.CCB(CC)c1cccnc1.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.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/2C35H28N2.2C9H14BN.4C5HF6N2.4Cu/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*1-3-10(4-2)9-6-5-7-11-8-9;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;/h2*3-24H,1-2H3;2*5-8H,3-4H2,1-2H3;4*1H;;;;/q;;;;4*-1;4*+1
InChIKeyIUONXNJSJJCMEH-UHFFFAOYSA-N
MW2313.75 g/mol
LogP31.25
Rot. Bonds16

About tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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

tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 158810104) has the molecular formula C108H88B2Cu4F24N14 and a molecular weight of 2313.75 g/mol. Its IUPAC name is tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 Nametetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 CID158810104
Molecular FormulaC108H88B2Cu4F24N14
Molecular Weight2313.75 g/mol
Exact Mass2310.43
IUPAC Nametetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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
SMILESCCB(CC)c1cccnc1.CCB(CC)c1cccnc1.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.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/2C35H28N2.2C9H14BN.4C5HF6N2.4Cu/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*1-3-10(4-2)9-6-5-7-11-8-9;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;/h2*3-24H,1-2H3;2*5-8H,3-4H2,1-2H3;4*1H;;;;/q;;;;4*-1;4*+1
InChIKeyIUONXNJSJJCMEH-UHFFFAOYSA-N
XLogP31.25
TPSA166.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002313.75
LogP ≤ 531.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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

[2-[2-Azanidyl-4,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)phenyl]azanide;benzene;bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)
CID 139144029
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 59010559
copper;bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);copper(1+);N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59012299
copper;bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);copper(1+);N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59012305
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
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
6-[2-[5-[9-[3-[2,7-Bis(2-phenylpyridin-3-yl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenylpyridin-3-yl)carbazol-2-yl]-6-phenylpyridin-3-yl]-6-(2-phenylpyridin-3-yl)carbazol-9-yl]-2-[3-(2-phenylpyridin-3-yl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386666
2,6-Bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 137386818
6-[3,6-Bis(2-phenylpyridin-3-yl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenylpyridin-3-yl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenylpyridin-3-yl)carbazol-2-yl]-6-phenylpyridin-3-yl]-2-phenylpyridin-3-yl]-6-(2-phenylpyridin-3-yl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137393455
3-(3,5-Dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]pyridin-3-yl]-5-(trifluoromethyl)phenyl]pyridin-4-yl]carbazole
CID 139313529

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 158810104) is tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 CCB(CC)c1cccnc1.CCB(CC)c1cccnc1.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.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].
What is the InChIKey of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 IUONXNJSJJCMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H28N2.2C9H14BN.4C5HF6N2.4Cu/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*1-3-10(4-2)9-6-5-7-11-8-9;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;/h2*3-24H,1-2H3;2*5-8H,3-4H2,1-2H3;4*1H;;;;/q;;;;4*-1;4*+1.
What are the key properties of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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?
tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 2313.75 g/mol, XLogP of 31.25, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));bis(diethyl(pyridin-3-yl)borane);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 158810104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).