2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C28H17N3PtS — CID 153421152

About 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421152) has the molecular formula C28H17N3PtS and a molecular weight of 623.62 g/mol. Its IUPAC name is 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421152
• Molecular Formula: C28H17N3PtS
• Molecular Weight: 623.62 g/mol
• Exact Mass: 623.09
• IUPAC Name: 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]c1cccc(Sc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C28H17N3S.Pt/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28;/h1-17H;/q-2;+2/i17D
• InChIKey: AFUDVCQDHRLITB-QHUFLJKCSA-N
• XLogP: 6.99
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.62
LogP ≤ 5	6.99
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 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 153421152) is 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is [2H]c1cccc(Sc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.[Pt+2].

What is the InChIKey of 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is AFUDVCQDHRLITB-QHUFLJKCSA-N. The full InChI is InChI=1S/C28H17N3S.Pt/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28;/h1-17H;/q-2;+2/i17D;.

What are the key properties of 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 623.62 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(6-deuterio-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).