3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)

C43H33F6N7Pt — CID 155650446

IUPAC3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4]
InChIInChI=1S/C29H27N6.C14H6F6N.Pt/c1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h6-15,17-18H,1-5H3;1-6H;/q-3;-1;+4
InChIKeyPBVAMCHFLLUAGA-UHFFFAOYSA-N
MW956.85 g/mol
LogP11.27
Rot. Bonds3

About 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)

3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+) (PubChem CID 155650446) has the molecular formula C43H33F6N7Pt and a molecular weight of 956.85 g/mol. Its IUPAC name is 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+).

Molecular Properties

Compound Name3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)
PubChem CID155650446
Molecular FormulaC43H33F6N7Pt
Molecular Weight956.85 g/mol
Exact Mass956.23
IUPAC Name3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4]
InChIInChI=1S/C29H27N6.C14H6F6N.Pt/c1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h6-15,17-18H,1-5H3;1-6H;/q-3;-1;+4
InChIKeyPBVAMCHFLLUAGA-UHFFFAOYSA-N
XLogP11.27
TPSA52.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.85
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+) with MolForge

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Related Compounds

5-(1-Methyl-2,3-dihydroindol-7-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255053
5-(1-Methylindol-7-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255054
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-dimethyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738427
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738431
1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-benzimidazol-3-ium-2-ide;1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-imidazol-3-ium-2-ide;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738557
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738573
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-diphenyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738663
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-4,5-dimethyl-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738721
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-pyren-1-yl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738726
iridium;2-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358824
9-[6-[3-(6-Pyrido[3,4-b]indol-9-ylpyridin-2-yl)-5-(trifluoromethyl)phenyl]pyridin-2-yl]pyrido[3,4-b]indole
CID 59480411
9-[6-[4-(4-Pyrido[3,4-b]indol-9-ylphenyl)-6-[6-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]pyrido[3,4-b]indole
CID 59609450

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)?
The IUPAC name of 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+) (CID 155650446) is 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+).
What is the SMILES notation for 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)?
The canonical SMILES for 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+) is Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4].
What is the InChIKey of 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)?
The InChIKey is PBVAMCHFLLUAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N6.C14H6F6N.Pt/c1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h6-15,17-18H,1-5H3;1-6H;/q-3;-1;+4.
What are the key properties of 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)?
3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+) has a molecular weight of 956.85 g/mol, XLogP of 11.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+) is sourced from PubChem (CID 155650446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).