bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)

C36H32N2O2Pt — CID 58939477

IUPACbis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)
SMILESCc1cc(C)c(-c2cccnc2-c2[c-]cco2)c(C)c1.Cc1cc(C)c(-c2cccnc2-c2[c-]cco2)c(C)c1.[Pt+2]
InChIInChI=1S/2C18H16NO.Pt/c2*1-12-10-13(2)17(14(3)11-12)15-6-4-8-19-18(15)16-7-5-9-20-16;/h2*4-6,8-11H,1-3H3;/q2*-1;+2
InChIKeyOAYATXCGMQSIJZ-UHFFFAOYSA-N
MW719.74 g/mol
LogP9.47
Rot. Bonds4

About bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)

bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+) (PubChem CID 58939477) has the molecular formula C36H32N2O2Pt and a molecular weight of 719.74 g/mol. Its IUPAC name is bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+).

Molecular Properties

Compound Namebis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)
PubChem CID58939477
Molecular FormulaC36H32N2O2Pt
Molecular Weight719.74 g/mol
Exact Mass719.21
IUPAC Namebis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)
SMILESCc1cc(C)c(-c2cccnc2-c2[c-]cco2)c(C)c1.Cc1cc(C)c(-c2cccnc2-c2[c-]cco2)c(C)c1.[Pt+2]
InChIInChI=1S/2C18H16NO.Pt/c2*1-12-10-13(2)17(14(3)11-12)15-6-4-8-19-18(15)16-7-5-9-20-16;/h2*4-6,8-11H,1-3H3;/q2*-1;+2
InChIKeyOAYATXCGMQSIJZ-UHFFFAOYSA-N
XLogP9.47
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.74
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)?
The IUPAC name of bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+) (CID 58939477) is bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+).
What is the SMILES notation for bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)?
The canonical SMILES for bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+) is Cc1cc(C)c(-c2cccnc2-c2[c-]cco2)c(C)c1.Cc1cc(C)c(-c2cccnc2-c2[c-]cco2)c(C)c1.[Pt+2].
What is the InChIKey of bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)?
The InChIKey is OAYATXCGMQSIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16NO.Pt/c2*1-12-10-13(2)17(14(3)11-12)15-6-4-8-19-18(15)16-7-5-9-20-16;/h2*4-6,8-11H,1-3H3;/q2*-1;+2.
What are the key properties of bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+)?
bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+) has a molecular weight of 719.74 g/mol, XLogP of 9.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3H-furan-3-id-2-yl)-3-(2,4,6-trimethylphenyl)pyridine);platinum(2+) is sourced from PubChem (CID 58939477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).