5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

C34H21N5PtS — CID 153285407

About 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (PubChem CID 153285407) has the molecular formula C34H21N5PtS and a molecular weight of 726.72 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).

Molecular Properties

• Compound Name: 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
• PubChem CID: 153285407
• Molecular Formula: C34H21N5PtS
• Molecular Weight: 726.72 g/mol
• Exact Mass: 726.12
• IUPAC Name: 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
• SMILES: Cn1ccnc1-c1ccc2sc(-c3[c-]c4c(cc3)c3ccccc3n4-c3[c-]c(-c4ccccn4)ccc3)nc2c1.[Pt+2]
• InChI: InChI=1S/C34H21N5S.Pt/c1-38-18-17-36-33(38)23-13-15-32-29(20-23)37-34(40-32)24-12-14-27-26-9-2-3-11-30(26)39(31(27)21-24)25-8-6-7-22(19-25)28-10-4-5-16-35-28;/h2-18,20H,1H3;/q-2;+2
• InChIKey: NKNUXQXVNABQOX-UHFFFAOYSA-N
• XLogP: 8.12
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.72
LogP ≤ 5	8.12
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 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The IUPAC name of 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (CID 153285407) is 5-(1-methylimidazol-2-yl)-2-[9-(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 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The canonical SMILES for 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is Cn1ccnc1-c1ccc2sc(-c3[c-]c4c(cc3)c3ccccc3n4-c3[c-]c(-c4ccccn4)ccc3)nc2c1.[Pt+2].

What is the InChIKey of 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The InChIKey is NKNUXQXVNABQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N5S.Pt/c1-38-18-17-36-33(38)23-13-15-32-29(20-23)37-34(40-32)24-12-14-27-26-9-2-3-11-30(26)39(31(27)21-24)25-8-6-7-22(19-25)28-10-4-5-16-35-28;/h2-18,20H,1H3;/q-2;+2.

What are the key properties of 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) has a molecular weight of 726.72 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is sourced from PubChem (CID 153285407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).