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-(trifluoromethyl)carbazol-9-ide

C46H44F3N9Pt — CID 155650634

IUPAC1-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-(trifluoromethyl)carbazol-9-ide
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-]c3ccccc3c2c1.[Pt+4]
InChIInChI=1S/C33H37N8.C13H7F3N.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;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h9-16,18-22H,1-8H3;1-7H;/q-3;-1;+4
InChIKeyLMGCBYHWLLEFGP-UHFFFAOYSA-N
MW974.99 g/mol
LogP11.48
Rot. Bonds6

About 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-(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-(trifluoromethyl)carbazol-9-ide (PubChem CID 155650634) has the molecular formula C46H44F3N9Pt and a molecular weight of 974.99 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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+);3-(trifluoromethyl)carbazol-9-ide
PubChem CID155650634
Molecular FormulaC46H44F3N9Pt
Molecular Weight974.99 g/mol
Exact Mass974.33
IUPAC Name1-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-(trifluoromethyl)carbazol-9-ide
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-]c3ccccc3c2c1.[Pt+4]
InChIInChI=1S/C33H37N8.C13H7F3N.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;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h9-16,18-22H,1-8H3;1-7H;/q-3;-1;+4
InChIKeyLMGCBYHWLLEFGP-UHFFFAOYSA-N
XLogP11.48
TPSA78.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.99
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+);3-(trifluoromethyl)carbazol-9-ide (CID 155650634) is 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-(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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+);3-(trifluoromethyl)carbazol-9-ide 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-]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-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+);3-(trifluoromethyl)carbazol-9-ide?
The InChIKey is LMGCBYHWLLEFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N8.C13H7F3N.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;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h9-16,18-22H,1-8H3;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-tri(propan-2-yl)phenyl]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-tri(propan-2-yl)phenyl]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 974.99 g/mol, XLogP of 11.48, 6 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-tri(propan-2-yl)phenyl]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 155650634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).