2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

C48H29N3PtS — CID 153285405

About 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (PubChem CID 153285405) has the molecular formula C48H29N3PtS and a molecular weight of 874.93 g/mol. Its IUPAC name is 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
• PubChem CID: 153285405
• Molecular Formula: C48H29N3PtS
• Molecular Weight: 874.93 g/mol
• Exact Mass: 874.17
• IUPAC Name: 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)cc2c2cc(-c3ccccc3)ccc21
• InChI: InChI=1S/C48H29N3S.Pt/c1-3-12-32(13-4-1)34-21-23-35(24-22-34)39-30-41-40-29-36(33-14-5-2-6-15-33)25-26-45(40)51(38-17-11-16-37(28-38)43-18-9-10-27-49-43)46(41)31-42(39)48-50-44-19-7-8-20-47(44)52-48;/h1-27,29-30H;/q-2;+2
• InChIKey: VDGVTIRQOXCBEZ-UHFFFAOYSA-N
• XLogP: 12.72
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.93
LogP ≤ 5	12.72
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-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The IUPAC name of 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (CID 153285405) is 2-[6-phenyl-3-(4-phenylphenyl)-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 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The canonical SMILES for 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)cc2c2cc(-c3ccccc3)ccc21.

What is the InChIKey of 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

The InChIKey is VDGVTIRQOXCBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S.Pt/c1-3-12-32(13-4-1)34-21-23-35(24-22-34)39-30-41-40-29-36(33-14-5-2-6-15-33)25-26-45(40)51(38-17-11-16-37(28-38)43-18-9-10-27-49-43)46(41)31-42(39)48-50-44-19-7-8-20-47(44)52-48;/h1-27,29-30H;/q-2;+2.

What are the key properties of 2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?

2-[6-phenyl-3-(4-phenylphenyl)-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 874.93 g/mol, XLogP of 12.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-phenyl-3-(4-phenylphenyl)-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 153285405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).