3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide

C155H154F9N17Pt3 — CID 157160149

IUPAC3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide
SMILESFC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.N#Cc1ccc2[n-]c3ccc(C#N)cc3c2c1.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[Pt+4].[Pt+4].[Pt+4]
InChIInChI=1S/3C38H45N4.C14H6F6N.C14H6N3.C13H7F3N.3Pt/c3*1-25(2)29-20-33(26(3)4)38(34(21-29)27(5)6)30-18-31(39-23-40(8)35-15-11-10-14-28(35)7)22-32(19-30)42-24-41(9)36-16-12-13-17-37(36)42;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)17-13;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;;;/h3*10-21,23-27,39H,1-9H3;1-6H;1-6H;1-7H;;;/q3*-3;3*-1;3*+4/i3*8D3,9D3;;;;;;
InChIKeyGMTBXDLXXYGQMW-AHEKYACKSA-N
MW3029.38 g/mol
LogP42.26
Rot. Bonds33

About 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide

3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide (PubChem CID 157160149) has the molecular formula C155H154F9N17Pt3 and a molecular weight of 3029.38 g/mol. Its IUPAC name is 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide.

Molecular Properties

Compound Name3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide
PubChem CID157160149
Molecular FormulaC155H154F9N17Pt3
Molecular Weight3029.38 g/mol
Exact Mass3027.25
IUPAC Name3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide
SMILESFC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.N#Cc1ccc2[n-]c3ccc(C#N)cc3c2c1.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[Pt+4].[Pt+4].[Pt+4]
InChIInChI=1S/3C38H45N4.C14H6F6N.C14H6N3.C13H7F3N.3Pt/c3*1-25(2)29-20-33(26(3)4)38(34(21-29)27(5)6)30-18-31(39-23-40(8)35-15-11-10-14-28(35)7)22-32(19-30)42-24-41(9)36-16-12-13-17-37(36)42;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)17-13;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;;;/h3*10-21,23-27,39H,1-9H3;1-6H;1-6H;1-7H;;;/q3*-3;3*-1;3*+4/i3*8D3,9D3;;;;;;
InChIKeyGMTBXDLXXYGQMW-AHEKYACKSA-N
XLogP42.26
TPSA155.13 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003029.38
LogP ≤ 542.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide with MolForge

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Related Compounds

carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)
CID 155650367
carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+)
CID 155650545
3,6-bis(trifluoromethyl)carbazol-9-ide;bis(platinum(4+));pyrido[3,4-b]indol-9-ide;bis(1-(trideuteriomethyl)-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide)
CID 158905275
platinum(4+);N'-[(Z)-prop-1-enyl]-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;3-(trifluoromethyl)carbazol-9-ide
CID 155650464
platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide
CID 164730512
N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide
CID 155650458
carbazol-9-ide-3-carbonitrile;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+)
CID 155650596
3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide
CID 161442839
chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide
CID 155650468
N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide
CID 155650636
4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 157400805
3-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)benzonitrile
CID 159604843

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide?
The IUPAC name of 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide (CID 157160149) is 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide.
What is the SMILES notation for 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide?
The canonical SMILES for 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide is FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.N#Cc1ccc2[n-]c3ccc(C#N)cc3c2c1.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1ccccc1C.[Pt+4].[Pt+4].[Pt+4].
What is the InChIKey of 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide?
The InChIKey is GMTBXDLXXYGQMW-AHEKYACKSA-N. The full InChI is InChI=1S/3C38H45N4.C14H6F6N.C14H6N3.C13H7F3N.3Pt/c3*1-25(2)29-20-33(26(3)4)38(34(21-29)27(5)6)30-18-31(39-23-40(8)35-15-11-10-14-28(35)7)22-32(19-30)42-24-41(9)36-16-12-13-17-37(36)42;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)17-13;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;;;/h3*10-21,23-27,39H,1-9H3;1-6H;1-6H;1-7H;;;/q3*-3;3*-1;3*+4/i3*8D3,9D3;;;;;;.
What are the key properties of 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide?
3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide has a molecular weight of 3029.38 g/mol, XLogP of 42.26, 33 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide is sourced from PubChem (CID 157160149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).