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

C30H21N3PtS — CID 153421284

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

9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421284) has the molecular formula C30H21N3PtS and a molecular weight of 650.66 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421284
• Molecular Formula: C30H21N3PtS
• Molecular Weight: 650.66 g/mol
• Exact Mass: 650.11
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(-c4[c-]c(Sc5ncccc5C)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C30H21N3S.Pt/c1-20-14-16-31-29(17-20)33-27-11-4-3-10-25(27)26-13-12-23(19-28(26)33)22-8-5-9-24(18-22)34-30-21(2)7-6-15-32-30;/h3-17H,1-2H3;/q-2;+2
• InChIKey: HWERSJFQJBJFQH-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.66
LogP ≤ 5	7.61
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-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-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-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 153421284) is 9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-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-methyl-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-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4[c-]c(Sc5ncccc5C)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is HWERSJFQJBJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3S.Pt/c1-20-14-16-31-29(17-20)33-27-11-4-3-10-25(27)26-13-12-23(19-28(26)33)22-8-5-9-24(18-22)34-30-21(2)7-6-15-32-30;/h3-17H,1-2H3;/q-2;+2.

What are the key properties of 9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 650.66 g/mol, XLogP of 7.61, 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-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).