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

C30H18F3N3O2PtS — CID 153421504

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

9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421504) has the molecular formula C30H18F3N3O2PtS and a molecular weight of 736.63 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421504
• Molecular Formula: C30H18F3N3O2PtS
• Molecular Weight: 736.63 g/mol
• Exact Mass: 736.07
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(-c4[c-]c(S(=O)(=O)c5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C30H18F3N3O2S.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)39(37,38)29-25(30(31,32)33)9-5-14-35-29;/h2-16H,1H3;/q-2;+2
• InChIKey: HAYNHWAUUJSQIC-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 64.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.63
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]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]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 153421504) is 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]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]sulfonyl]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]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4[c-]c(S(=O)(=O)c5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is HAYNHWAUUJSQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F3N3O2S.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)39(37,38)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]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 736.63 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).