carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide

C121H95F3N30Pt3 — CID 159400307

IUPACcarbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.N#Cc1ccc2[n-]c3ccc(C#N)cc3c2c1.N#Cc1ccc2[n-]c3ccccc3c2c1.[Pt+4].[Pt+4].[Pt+4]
InChIInChI=1S/3C27H25N8.C14H6N3.C13H7F3N.C13H7N2.3Pt/c3*1-17-10-18(2)23(19(3)11-17)20-12-21(34-15-32(4)24-26(34)30-8-6-28-24)14-22(13-20)35-16-33(5)25-27(35)31-9-7-29-25;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;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;;;/h3*6-13,15-16H,1-5H3;1-6H;1-7H;1-7H;;;/q3*-3;3*-1;3*+4
InChIKeyWQXDGPSFUJLHBY-UHFFFAOYSA-N
MW2611.53 g/mol
LogP24.70
Rot. Bonds9

About carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide

carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide (PubChem CID 159400307) has the molecular formula C121H95F3N30Pt3 and a molecular weight of 2611.53 g/mol. Its IUPAC name is carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide.

Molecular Properties

Compound Namecarbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide
PubChem CID159400307
Molecular FormulaC121H95F3N30Pt3
Molecular Weight2611.53 g/mol
Exact Mass2609.73
IUPAC Namecarbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.N#Cc1ccc2[n-]c3ccc(C#N)cc3c2c1.N#Cc1ccc2[n-]c3ccccc3c2c1.[Pt+4].[Pt+4].[Pt+4]
InChIInChI=1S/3C27H25N8.C14H6N3.C13H7F3N.C13H7N2.3Pt/c3*1-17-10-18(2)23(19(3)11-17)20-12-21(34-15-32(4)24-26(34)30-8-6-28-24)14-22(13-20)35-16-33(5)25-27(35)31-9-7-29-25;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;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;;;/h3*6-13,15-16H,1-5H3;1-6H;1-7H;1-7H;;;/q3*-3;3*-1;3*+4
InChIKeyWQXDGPSFUJLHBY-UHFFFAOYSA-N
XLogP24.70
TPSA307.23 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002611.53
LogP ≤ 524.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide with MolForge

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Related Compounds

2-[3-[5-[9-[2-Cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137381474
2-[9-[2-[2-[3,6-Bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]pyridin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyridin-4-yl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 137383621
5-[3,6-Bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenylpyridin-3-yl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenylpyridin-3-yl]-6-phenylpyridin-2-yl]-6-(6-phenylpyridin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386386
4-[4-[2-[9-[2-Cyano-3-[3-[5-[2-[9-[2-cyano-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyrimidin-2-ylcarbazol-3-yl]pyrimidin-5-yl]-2-(trifluoromethyl)phenyl]-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 137386454
2-[3-[5-[9-[4-Cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386717
2-[2,5-Bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]pyridin-4-yl]benzonitrile
CID 142452271
4-[2,5-Bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]pyridin-4-yl]benzonitrile
CID 142452339
2-[2,5-Bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]pyridin-4-yl]benzonitrile
CID 142452355
9-[5-(3-cyanophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-6-[5-[9-[5-(3-cyanophenyl)-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-N'-ethenylcarbazole-3-carboximidamide
CID 146237981
3-[2-[6-[9-[9-[4-[3-Cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
CID 146393830
4-[9-[5-[3,6-Bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 146393831
4-[9-[5-[3-(4-Cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzonitrile
CID 146393832

Frequently Asked Questions

What is the IUPAC name of carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide?
The IUPAC name of carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide (CID 159400307) is carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide.
What is the SMILES notation for carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide?
The canonical SMILES for carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide is Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.N#Cc1ccc2[n-]c3ccc(C#N)cc3c2c1.N#Cc1ccc2[n-]c3ccccc3c2c1.[Pt+4].[Pt+4].[Pt+4].
What is the InChIKey of carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide?
The InChIKey is WQXDGPSFUJLHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H25N8.C14H6N3.C13H7F3N.C13H7N2.3Pt/c3*1-17-10-18(2)23(19(3)11-17)20-12-21(34-15-32(4)24-26(34)30-8-6-28-24)14-22(13-20)35-16-33(5)25-27(35)31-9-7-29-25;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;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;;;/h3*6-13,15-16H,1-5H3;1-6H;1-7H;1-7H;;;/q3*-3;3*-1;3*+4.
What are the key properties of carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide?
carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide has a molecular weight of 2611.53 g/mol, XLogP of 24.70, 9 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-9-ide-3-carbonitrile;carbazol-9-ide-3,6-dicarbonitrile;tris(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide is sourced from PubChem (CID 159400307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).