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-(trifluoromethyl)carbazol-9-ide

C40H32F3N9Pt — CID 155650393

IUPAC1-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-(trifluoromethyl)carbazol-9-ide
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-]c3ccccc3c2c1.[Pt+4]
InChIInChI=1S/C27H25N8.C13H7F3N.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;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h6-13,15-16H,1-5H3;1-7H;/q-3;-1;+4
InChIKeyUNOCTZTZHQXSSL-UHFFFAOYSA-N
MW890.83 g/mol
LogP9.04
Rot. Bonds3

About 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-(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-(trifluoromethyl)carbazol-9-ide (PubChem CID 155650393) has the molecular formula C40H32F3N9Pt and a molecular weight of 890.83 g/mol. Its IUPAC name is 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-(trifluoromethyl)carbazol-9-ide.

Molecular Properties

Compound Name1-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-(trifluoromethyl)carbazol-9-ide
PubChem CID155650393
Molecular FormulaC40H32F3N9Pt
Molecular Weight890.83 g/mol
Exact Mass890.24
IUPAC Name1-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-(trifluoromethyl)carbazol-9-ide
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-]c3ccccc3c2c1.[Pt+4]
InChIInChI=1S/C27H25N8.C13H7F3N.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;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h6-13,15-16H,1-5H3;1-7H;/q-3;-1;+4
InChIKeyUNOCTZTZHQXSSL-UHFFFAOYSA-N
XLogP9.04
TPSA78.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.83
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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-(trifluoromethyl)carbazol-9-ide 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
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
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)-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

Frequently Asked Questions

What is the IUPAC name of 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-(trifluoromethyl)carbazol-9-ide?
The IUPAC name of 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-(trifluoromethyl)carbazol-9-ide (CID 155650393) is 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-(trifluoromethyl)carbazol-9-ide.
What is the SMILES notation for 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-(trifluoromethyl)carbazol-9-ide?
The canonical SMILES for 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-(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.FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.[Pt+4].
What is the InChIKey of 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-(trifluoromethyl)carbazol-9-ide?
The InChIKey is UNOCTZTZHQXSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N8.C13H7F3N.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;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h6-13,15-16H,1-5H3;1-7H;/q-3;-1;+4.
What are the key properties of 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-(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-(trifluoromethyl)carbazol-9-ide has a molecular weight of 890.83 g/mol, XLogP of 9.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(trifluoromethyl)carbazol-9-ide is sourced from PubChem (CID 155650393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).