9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)

C41H24F3N3OPt — CID 153421418

IUPAC9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
SMILESFC(F)(F)c1cc(Oc2cc(-c3ccccc3)ccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)c1.[Pt+2]
InChIInChI=1S/C41H24F3N3O.Pt/c42-41(43,44)33-21-32(22-34(26-33)48-40-25-31(18-20-46-40)28-11-5-2-6-12-28)29-15-16-36-35-13-7-8-14-37(35)47(38(36)23-29)39-24-30(17-19-45-39)27-9-3-1-4-10-27;/h1-21,24-26H;/q-2;+2
InChIKeyVZZKNDFVSZNAHV-UHFFFAOYSA-N
MW826.74 g/mol
LogP10.98
Rot. Bonds6

About 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)

9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421418) has the molecular formula C41H24F3N3OPt and a molecular weight of 826.74 g/mol. Its IUPAC name is 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
PubChem CID153421418
Molecular FormulaC41H24F3N3OPt
Molecular Weight826.74 g/mol
Exact Mass826.15
IUPAC Name9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
SMILESFC(F)(F)c1cc(Oc2cc(-c3ccccc3)ccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)c1.[Pt+2]
InChIInChI=1S/C41H24F3N3O.Pt/c42-41(43,44)33-21-32(22-34(26-33)48-40-25-31(18-20-46-40)28-11-5-2-6-12-28)29-15-16-36-35-13-7-8-14-37(35)47(38(36)23-29)39-24-30(17-19-45-39)27-9-3-1-4-10-27;/h1-21,24-26H;/q-2;+2
InChIKeyVZZKNDFVSZNAHV-UHFFFAOYSA-N
XLogP10.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.74
LogP ≤ 510.98
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 153421418) is 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is FC(F)(F)c1cc(Oc2cc(-c3ccccc3)ccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)c1.[Pt+2].
What is the InChIKey of 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is VZZKNDFVSZNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F3N3O.Pt/c42-41(43,44)33-21-32(22-34(26-33)48-40-25-31(18-20-46-40)28-11-5-2-6-12-28)29-15-16-36-35-13-7-8-14-37(35)47(38(36)23-29)39-24-30(17-19-45-39)27-9-3-1-4-10-27;/h1-21,24-26H;/q-2;+2.
What are the key properties of 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 826.74 g/mol, XLogP of 10.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).