2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

C36H21N3PtS — CID 153285123

About 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (PubChem CID 153285123) has the molecular formula C36H21N3PtS and a molecular weight of 722.73 g/mol. Its IUPAC name is 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
• PubChem CID: 153285123
• Molecular Formula: C36H21N3PtS
• Molecular Weight: 722.73 g/mol
• Exact Mass: 722.11
• IUPAC Name: 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-n2c3[c-]c(-c4nc5ccccc5s4)ccc3c3ccccc32)ccc(-c2ccccc2)c1-c1ccccn1
• InChI: InChI=1S/C36H21N3S.Pt/c1-2-10-24(11-3-1)27-20-18-26(23-30(27)31-13-8-9-21-37-31)39-33-15-6-4-12-28(33)29-19-17-25(22-34(29)39)36-38-32-14-5-7-16-35(32)40-36;/h1-21H;/q-2;+2
• InChIKey: NNDWYSMAHPBGGC-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.73
LogP ≤ 5	9.39
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-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The IUPAC name of 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (CID 153285123) is 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).

What is the SMILES notation for 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The canonical SMILES for 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is [Pt+2].[c-]1c(-n2c3[c-]c(-c4nc5ccccc5s4)ccc3c3ccccc32)ccc(-c2ccccc2)c1-c1ccccn1.

What is the InChIKey of 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The InChIKey is NNDWYSMAHPBGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3S.Pt/c1-2-10-24(11-3-1)27-20-18-26(23-30(27)31-13-8-9-21-37-31)39-33-15-6-4-12-28(33)29-19-17-25(22-34(29)39)36-38-32-14-5-7-16-35(32)40-36;/h1-21H;/q-2;+2.

What are the key properties of 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) has a molecular weight of 722.73 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(4-phenyl-3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is sourced from PubChem (CID 153285123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).