bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)

C46H34N12Pt2-6 — CID 176621912

IUPACbis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)
SMILESCN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.[Pt].[Pt].c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12
InChIInChI=1S/2C12H10N4.2C11H7N2.2Pt/c2*1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;;/h2*2-5,7-9H,1H3;2*1-7H;;/q2*-2;2*-1;;
InChIKeyGRDXJPJEHKHSQJ-UHFFFAOYSA-N
MW1145.02 g/mol
LogP8.65
Rot. Bonds2

About bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)

bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide) (PubChem CID 176621912) has the molecular formula C46H34N12Pt2-6 and a molecular weight of 1145.02 g/mol. Its IUPAC name is bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide).

Molecular Properties

Compound Namebis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)
PubChem CID176621912
Molecular FormulaC46H34N12Pt2-6
Molecular Weight1145.02 g/mol
Exact Mass1144.24
IUPAC Namebis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)
SMILESCN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.[Pt].[Pt].c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12
InChIInChI=1S/2C12H10N4.2C11H7N2.2Pt/c2*1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;;/h2*2-5,7-9H,1H3;2*1-7H;;/q2*-2;2*-1;;
InChIKeyGRDXJPJEHKHSQJ-UHFFFAOYSA-N
XLogP8.65
TPSA118.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.02
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide
CID 155625565
3-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-2H-imidazo[4,5-b]pyrazin-2-ide;iridium;3-phenyl-1-[4-(3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-1-yl)butyl]-2H-imidazo[4,5-b]pyrazin-2-ide
CID 155625583
tetrakis(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);tetrakis(iridium);bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);bis(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide)
CID 158021693
bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)
CID 176622038
bis(2-phenylpyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621886
iridium;1-methyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 155625575
bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)
CID 176622039
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-2-id-1-yl)butyl]-4,5-dimethyl-3-phenyl-2H-imidazol-2-ide;bis(iridium);bis(1-methyl-3-(4H-pyridin-4-id-3-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 160590198
1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
CID 155650562
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-2-id-1-yl)butyl]-4,5-dimethyl-3-phenyl-2H-imidazol-2-ide;bis(iridium);bis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 159180957
bis(2-(2H-naphthalen-2-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621902

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)?
The IUPAC name of bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide) (CID 176621912) is bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide).
What is the SMILES notation for bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)?
The canonical SMILES for bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide) is CN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.[Pt].[Pt].c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12.
What is the InChIKey of bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)?
The InChIKey is GRDXJPJEHKHSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10N4.2C11H7N2.2Pt/c2*1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;;/h2*2-5,7-9H,1H3;2*1-7H;;/q2*-2;2*-1;;.
What are the key properties of bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)?
bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide) has a molecular weight of 1145.02 g/mol, XLogP of 8.65, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide) is sourced from PubChem (CID 176621912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).