(2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)

C46H39BiN2Pt — CID 164733482

IUPAC(2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)
SMILESCC(C)c1ccnc(-c2[c-]c([Bi](c3[c-]c(-c4cc(C(C)C)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.[Pt+2]
InChIInChI=1S/C18H13.2C14H13N.Bi.Pt/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;;/h1-13H;2*3-4,6,8-11H,1-2H3;;/q;2*-1;;+2
InChIKeyIWENMYDFLWVGJD-UHFFFAOYSA-N
MW1023.89 g/mol
LogP9.51
Rot. Bonds9

About (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)

(2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+) (PubChem CID 164733482) has the molecular formula C46H39BiN2Pt and a molecular weight of 1023.89 g/mol. Its IUPAC name is (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+).

Molecular Properties

Compound Name(2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)
PubChem CID164733482
Molecular FormulaC46H39BiN2Pt
Molecular Weight1023.89 g/mol
Exact Mass1023.26
IUPAC Name(2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)
SMILESCC(C)c1ccnc(-c2[c-]c([Bi](c3[c-]c(-c4cc(C(C)C)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.[Pt+2]
InChIInChI=1S/C18H13.2C14H13N.Bi.Pt/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;;/h1-13H;2*3-4,6,8-11H,1-2H3;;/q;2*-1;;+2
InChIKeyIWENMYDFLWVGJD-UHFFFAOYSA-N
XLogP9.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.89
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+) with MolForge

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Related Compounds

iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol
CID 168799288
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153428858
iridium;2-(6-phenyl-2H-dibenzothiophen-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 171435938
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)?
The IUPAC name of (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+) (CID 164733482) is (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+).
What is the SMILES notation for (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)?
The canonical SMILES for (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+) is CC(C)c1ccnc(-c2[c-]c([Bi](c3[c-]c(-c4cc(C(C)C)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.[Pt+2].
What is the InChIKey of (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)?
The InChIKey is IWENMYDFLWVGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13.2C14H13N.Bi.Pt/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;;/h1-13H;2*3-4,6,8-11H,1-2H3;;/q;2*-1;;+2.
What are the key properties of (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+)?
(2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+) has a molecular weight of 1023.89 g/mol, XLogP of 9.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenylphenyl)-bis[3-(4-propan-2-yl-2-pyridinyl)benzene-2-id-1-yl]bismuthane;platinum(2+) is sourced from PubChem (CID 164733482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).