2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

C43H36F4N2Pt — CID 59342314

IUPAC2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
SMILESCc1cc(C)c(-c2c(F)c[c-]c(-c3cccc(C(C)(C)c4cccc(-c5[c-]cc(F)c(-c6c(C)cc(C)cc6C)c5F)n4)n3)c2F)c(C)c1.[Pt+2]
InChIInChI=1S/C43H36F4N2.Pt/c1-23-19-25(3)37(26(4)20-23)39-31(44)17-15-29(41(39)46)33-11-9-13-35(48-33)43(7,8)36-14-10-12-34(49-36)30-16-18-32(45)40(42(30)47)38-27(5)21-24(2)22-28(38)6;/h9-14,17-22H,1-8H3;/q-2;+2
InChIKeyPFQZPMAPZUYQSS-UHFFFAOYSA-N
MW851.84 g/mol
LogP11.48
Rot. Bonds6

About 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 59342314) has the molecular formula C43H36F4N2Pt and a molecular weight of 851.84 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
PubChem CID59342314
Molecular FormulaC43H36F4N2Pt
Molecular Weight851.84 g/mol
Exact Mass851.25
IUPAC Name2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
SMILESCc1cc(C)c(-c2c(F)c[c-]c(-c3cccc(C(C)(C)c4cccc(-c5[c-]cc(F)c(-c6c(C)cc(C)cc6C)c5F)n4)n3)c2F)c(C)c1.[Pt+2]
InChIInChI=1S/C43H36F4N2.Pt/c1-23-19-25(3)37(26(4)20-23)39-31(44)17-15-29(41(39)46)33-11-9-13-35(48-33)43(7,8)36-14-10-12-34(49-36)30-16-18-32(45)40(42(30)47)38-27(5)21-24(2)22-28(38)6;/h9-14,17-22H,1-8H3;/q-2;+2
InChIKeyPFQZPMAPZUYQSS-UHFFFAOYSA-N
XLogP11.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.84
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The IUPAC name of 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 59342314) is 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).
What is the SMILES notation for 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The canonical SMILES for 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is Cc1cc(C)c(-c2c(F)c[c-]c(-c3cccc(C(C)(C)c4cccc(-c5[c-]cc(F)c(-c6c(C)cc(C)cc6C)c5F)n4)n3)c2F)c(C)c1.[Pt+2].
What is the InChIKey of 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The InChIKey is PFQZPMAPZUYQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36F4N2.Pt/c1-23-19-25(3)37(26(4)20-23)39-31(44)17-15-29(41(39)46)33-11-9-13-35(48-33)43(7,8)36-14-10-12-34(49-36)30-16-18-32(45)40(42(30)47)38-27(5)21-24(2)22-28(38)6;/h9-14,17-22H,1-8H3;/q-2;+2.
What are the key properties of 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 851.84 g/mol, XLogP of 11.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 59342314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).