9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C29H19N3PtS — CID 153421950

About 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421950) has the molecular formula C29H19N3PtS and a molecular weight of 636.64 g/mol. Its IUPAC name is 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421950
• Molecular Formula: C29H19N3PtS
• Molecular Weight: 636.64 g/mol
• Exact Mass: 636.09
• IUPAC Name: 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cccnc1-n1c2[c-]c(-c3[c-]c(Sc4ccccn4)ccc3)ccc2c2ccccc21.[Pt+2]
• InChI: InChI=1S/C29H19N3S.Pt/c1-20-8-7-17-31-29(20)32-26-12-3-2-11-24(26)25-15-14-22(19-27(25)32)21-9-6-10-23(18-21)33-28-13-4-5-16-30-28;/h2-17H,1H3;/q-2;+2
• InChIKey: ADQMJEMBNSPJQU-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.64
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153421950) is 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is Cc1cccnc1-n1c2[c-]c(-c3[c-]c(Sc4ccccn4)ccc3)ccc2c2ccccc21.[Pt+2].

What is the InChIKey of 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ADQMJEMBNSPJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3S.Pt/c1-20-8-7-17-31-29(20)32-26-12-3-2-11-24(26)25-15-14-22(19-27(25)32)21-9-6-10-23(18-21)33-28-13-4-5-16-30-28;/h2-17H,1H3;/q-2;+2.

What are the key properties of 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 636.64 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).