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

C41H31F6N9Pt — CID 155650514

IUPAC3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4]
InChIInChI=1S/C27H25N8.C14H6F6N.Pt/c1-17-10-18(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;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h6-13,15-16H,1-5H3;1-6H;/q-3;-1;+4
InChIKeyRUIMNVYXKNKLET-UHFFFAOYSA-N
MW958.83 g/mol
LogP10.06
Rot. Bonds3

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

3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+) (PubChem CID 155650514) has the molecular formula C41H31F6N9Pt and a molecular weight of 958.83 g/mol. Its IUPAC name is 3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+).

Molecular Properties

Compound Name3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)
PubChem CID155650514
Molecular FormulaC41H31F6N9Pt
Molecular Weight958.83 g/mol
Exact Mass958.23
IUPAC Name3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+)
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4]
InChIInChI=1S/C27H25N8.C14H6F6N.Pt/c1-17-10-18(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;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h6-13,15-16H,1-5H3;1-6H;/q-3;-1;+4
InChIKeyRUIMNVYXKNKLET-UHFFFAOYSA-N
XLogP10.06
TPSA78.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.83
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-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
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 20606860
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine
CID 23391300
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
5-[6-(9,10-Dinaphthalen-2-ylanthracen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-b]indole
CID 58351514
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
3-Phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine
CID 59855600

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]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-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]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) (CID 155650514) is 3,6-bis(trifluoromethyl)carbazol-9-ide;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;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]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-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]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) is 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-]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]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)?
The InChIKey is RUIMNVYXKNKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N8.C14H6F6N.Pt/c1-17-10-18(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;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h6-13,15-16H,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]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)?
3,6-bis(trifluoromethyl)carbazol-9-ide;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;platinum(4+) has a molecular weight of 958.83 g/mol, XLogP of 10.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) is sourced from PubChem (CID 155650514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).