2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)

C32H27N5PtS — CID 153420994

About 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)

2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) (PubChem CID 153420994) has the molecular formula C32H27N5PtS and a molecular weight of 708.75 g/mol. Its IUPAC name is 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)
• PubChem CID: 153420994
• Molecular Formula: C32H27N5PtS
• Molecular Weight: 708.75 g/mol
• Exact Mass: 708.16
• IUPAC Name: 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)
• SMILES: CN(C)c1ccnc(Sc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3cc(N(C)C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C32H27N5S.Pt/c1-35(2)24-14-16-33-31(20-24)37-29-11-6-5-10-27(29)28-13-12-23(19-30(28)37)22-8-7-9-26(18-22)38-32-21-25(36(3)4)15-17-34-32;/h5-17,20-21H,1-4H3;/q-2;+2
• InChIKey: WMOSFTYKEWNJOY-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 37.19 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.75
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)?

The IUPAC name of 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) (CID 153420994) is 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+).

What is the SMILES notation for 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)?

The canonical SMILES for 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) is CN(C)c1ccnc(Sc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3cc(N(C)C)ccn3)ccc2)c1.[Pt+2].

What is the InChIKey of 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)?

The InChIKey is WMOSFTYKEWNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5S.Pt/c1-35(2)24-14-16-33-31(20-24)37-29-11-6-5-10-27(29)28-13-12-23(19-30(28)37)22-8-7-9-26(18-22)38-32-21-25(36(3)4)15-17-34-32;/h5-17,20-21H,1-4H3;/q-2;+2.

What are the key properties of 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)?

2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) has a molecular weight of 708.75 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) is sourced from PubChem (CID 153420994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).