2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)

C47H30N2PtS — CID 140824206

IUPAC2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3cc(-c4ccccc4)ccc3Sc3ccc(-c4ccccc4)cc32)n1
InChIInChI=1S/C47H30N2S.Pt/c1-5-15-33(16-6-1)37-27-29-43-39(31-37)47(45-25-13-23-41(48-45)35-19-9-3-10-20-35,46-26-14-24-42(49-46)36-21-11-4-12-22-36)40-32-38(28-30-44(40)50-43)34-17-7-2-8-18-34;/h1-19,21,23-32H;/q-2;+2
InChIKeyPAQCRCAJQXPPRO-UHFFFAOYSA-N
MW849.92 g/mol
LogP11.59
Rot. Bonds6

About 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)

2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+) (PubChem CID 140824206) has the molecular formula C47H30N2PtS and a molecular weight of 849.92 g/mol. Its IUPAC name is 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+).

Molecular Properties

Compound Name2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)
PubChem CID140824206
Molecular FormulaC47H30N2PtS
Molecular Weight849.92 g/mol
Exact Mass849.18
IUPAC Name2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3cc(-c4ccccc4)ccc3Sc3ccc(-c4ccccc4)cc32)n1
InChIInChI=1S/C47H30N2S.Pt/c1-5-15-33(16-6-1)37-27-29-43-39(31-37)47(45-25-13-23-41(48-45)35-19-9-3-10-20-35,46-26-14-24-42(49-46)36-21-11-4-12-22-36)40-32-38(28-30-44(40)50-43)34-17-7-2-8-18-34;/h1-19,21,23-32H;/q-2;+2
InChIKeyPAQCRCAJQXPPRO-UHFFFAOYSA-N
XLogP11.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.92
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+) with MolForge

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Related Compounds

2-[2,7-dimethyl-9-(6-phenyl-2-pyridinyl)xanthen-9-yl]-6-phenylpyridine;platinum(2+)
CID 140824186
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
chloronickel;2,6-di(phenyl)pyridine
CID 153499161
2'-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-9,9-dimethylspiro[anthracene-10,9'-thioxanthene]
CID 166995957
1',7'-diphenyl-9,9'-spirobi[thioxanthene];1',8'-diphenyl-9,9'-spirobi[thioxanthene]
CID 159876269
4-[4-(2,2-dimethylpropyl)phenyl]-2-(2-methyl-5H-benzo[e][1]benzothiol-5-id-4-yl)-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;platinum(2+)
CID 165168072
2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine
CID 140758618
iridium(3+);2-(2-methylpropyl)-6-phenylpyridine;3-phenyl-1-phenylbenzene-6-ide
CID 140652480
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 166738191
2-phenyl-6-[phenyl-(6-phenyl-2-pyridinyl)methyl]pyridine;platinum(2+)
CID 59434494
8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)
CID 165167985

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)?
The IUPAC name of 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+) (CID 140824206) is 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+).
What is the SMILES notation for 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)?
The canonical SMILES for 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+) is [Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3cc(-c4ccccc4)ccc3Sc3ccc(-c4ccccc4)cc32)n1.
What is the InChIKey of 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)?
The InChIKey is PAQCRCAJQXPPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2S.Pt/c1-5-15-33(16-6-1)37-27-29-43-39(31-37)47(45-25-13-23-41(48-45)35-19-9-3-10-20-35,46-26-14-24-42(49-46)36-21-11-4-12-22-36)40-32-38(28-30-44(40)50-43)34-17-7-2-8-18-34;/h1-19,21,23-32H;/q-2;+2.
What are the key properties of 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)?
2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+) has a molecular weight of 849.92 g/mol, XLogP of 11.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+) is sourced from PubChem (CID 140824206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).