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

C30H18F3N3PtS — CID 153421712

IUPAC9-(4-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccnc(-n2c3[c-]c(-c4[c-]c(Sc5cc(C(F)(F)F)ccn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C30H18F3N3S.Pt/c1-19-11-13-34-28(15-19)36-26-8-3-2-7-24(26)25-10-9-21(17-27(25)36)20-5-4-6-23(16-20)37-29-18-22(12-14-35-29)30(31,32)33;/h2-15,18H,1H3;/q-2;+2
InChIKeyPQRWCQLORQKZSG-UHFFFAOYSA-N
MW704.63 g/mol
LogP8.32
Rot. Bonds4

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

9-(4-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421712) 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-[[4-(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-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
PubChem CID153421712
Molecular FormulaC30H18F3N3PtS
Molecular Weight704.63 g/mol
Exact Mass704.08
IUPAC Name9-(4-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccnc(-n2c3[c-]c(-c4[c-]c(Sc5cc(C(F)(F)F)ccn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C30H18F3N3S.Pt/c1-19-11-13-34-28(15-19)36-26-8-3-2-7-24(26)25-10-9-21(17-27(25)36)20-5-4-6-23(16-20)37-29-18-22(12-14-35-29)30(31,32)33;/h2-15,18H,1H3;/q-2;+2
InChIKeyPQRWCQLORQKZSG-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-4-(4,4-difluoropiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168283634
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
6-(2-Pyridinyl)diquinothiazine
CID 16680180
2',4]Thiazinium chloride
CID 16680184
6-Fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole
CID 138963073
3-Methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole
CID 122230357
2-Phenylsulfanyl-1-pyridin-2-ylindole
CID 138963069
3-Methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
CID 138963070
5-Methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
CID 138963071
3-Methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole
CID 138976061
2-Ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1-pyridin-2-ylindole
CID 25024652
2-[1-[3-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl]sulfonylquinoline
CID 68554886

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[[4-(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-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 153421712) is 9-(4-methyl-2-pyridinyl)-2-[3-[[4-(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-[[4-(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-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4[c-]c(Sc5cc(C(F)(F)F)ccn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of 9-(4-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is PQRWCQLORQKZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F3N3S.Pt/c1-19-11-13-34-28(15-19)36-26-8-3-2-7-24(26)25-10-9-21(17-27(25)36)20-5-4-6-23(16-20)37-29-18-22(12-14-35-29)30(31,32)33;/h2-15,18H,1H3;/q-2;+2.
What are the key properties of 9-(4-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?
9-(4-methyl-2-pyridinyl)-2-[3-[[4-(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-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).