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

C30H18F3N3PtS — CID 153421692

IUPAC9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccnc(-n2c3[c-]c(-c4[c-]c(Sc5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C30H18F3N3S.Pt/c1-19-13-15-34-28(16-19)36-26-10-3-2-8-23(26)24-12-11-21(18-27(24)36)20-6-4-7-22(17-20)37-29-25(30(31,32)33)9-5-14-35-29;/h2-16H,1H3;/q-2;+2
InChIKeyWXPUKBWLGSUMPH-UHFFFAOYSA-N
MW704.63 g/mol
LogP8.32
Rot. Bonds4

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

9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421692) has the molecular formula C30H18F3N3PtS and a molecular weight of 704.63 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
PubChem CID153421692
Molecular FormulaC30H18F3N3PtS
Molecular Weight704.63 g/mol
Exact Mass704.08
IUPAC Name9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccnc(-n2c3[c-]c(-c4[c-]c(Sc5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C30H18F3N3S.Pt/c1-19-13-15-34-28(16-19)36-26-10-3-2-8-23(26)24-12-11-21(18-27(24)36)20-6-4-7-22(17-20)37-29-25(30(31,32)33)9-5-14-35-29;/h2-16H,1H3;/q-2;+2
InChIKeyWXPUKBWLGSUMPH-UHFFFAOYSA-N
XLogP8.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.63
LogP ≤ 58.32
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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CID 168280493
1-Benzyl-4-(4,4-difluoropiperidin-1-yl)pyrrolo[3,2-c]quinoline
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2-(4-Fluorophenyl)-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10411661
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CID 16680180
2',4]Thiazinium chloride
CID 16680184
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3-Methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole
CID 122230357
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2-Phenylsulfanyl-1-pyridin-2-ylindole
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3-Methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
CID 138963070

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 153421692) is 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4[c-]c(Sc5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is WXPUKBWLGSUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F3N3S.Pt/c1-19-13-15-34-28(16-19)36-26-10-3-2-8-23(26)24-12-11-21(18-27(24)36)20-6-4-7-22(17-20)37-29-25(30(31,32)33)9-5-14-35-29;/h2-16H,1H3;/q-2;+2.
What are the key properties of 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 704.63 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).