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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)

C47H43F6N9Pt — CID 155650540

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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)
SMILESCC(C)c1cc(C(C)C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C(C)C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4]
InChIInChI=1S/C33H37N8.C14H6F6N.Pt/c1-20(2)23-15-27(21(3)4)29(28(16-23)22(5)6)24-13-25(40-18-38(7)30-32(40)36-11-9-34-30)17-26(14-24)41-19-39(8)31-33(41)37-12-10-35-31;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h9-16,18-22H,1-8H3;1-6H;/q-3;-1;+4
InChIKeySYQXDURHDILVDP-UHFFFAOYSA-N
MW1042.99 g/mol
LogP12.50
Rot. Bonds6

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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) (PubChem CID 155650540) has the molecular formula C47H43F6N9Pt and a molecular weight of 1042.99 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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)
PubChem CID155650540
Molecular FormulaC47H43F6N9Pt
Molecular Weight1042.99 g/mol
Exact Mass1042.32
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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)
SMILESCC(C)c1cc(C(C)C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C(C)C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4]
InChIInChI=1S/C33H37N8.C14H6F6N.Pt/c1-20(2)23-15-27(21(3)4)29(28(16-23)22(5)6)24-13-25(40-18-38(7)30-32(40)36-11-9-34-30)17-26(14-24)41-19-39(8)31-33(41)37-12-10-35-31;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h9-16,18-22H,1-8H3;1-6H;/q-3;-1;+4
InChIKeySYQXDURHDILVDP-UHFFFAOYSA-N
XLogP12.50
TPSA78.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.99
LogP ≤ 512.50
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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) with MolForge

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Related Compounds

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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
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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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) (CID 155650540) 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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) is CC(C)c1cc(C(C)C)c(-c2cc(N3[CH-]N(C)c4nccnc43)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C(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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)?
The InChIKey is SYQXDURHDILVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N8.C14H6F6N.Pt/c1-20(2)23-15-27(21(3)4)29(28(16-23)22(5)6)24-13-25(40-18-38(7)30-32(40)36-11-9-34-30)17-26(14-24)41-19-39(8)31-33(41)37-12-10-35-31;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h9-16,18-22H,1-8H3;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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) has a molecular weight of 1042.99 g/mol, XLogP of 12.50, 6 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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) is sourced from PubChem (CID 155650540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).