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

C42H25N3OPt — CID 153285546

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

2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (PubChem CID 153285546) has the molecular formula C42H25N3OPt and a molecular weight of 782.76 g/mol. Its IUPAC name is 2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)
• PubChem CID: 153285546
• Molecular Formula: C42H25N3OPt
• Molecular Weight: 782.76 g/mol
• Exact Mass: 782.16
• IUPAC Name: 2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-n2c3[c-]c(-c4nc5ccccc5o4)ccc3c3ccccc32)ccc(-c2ccc(-c3ccccc3)cc2)c1-c1ccccn1
• InChI: InChI=1S/C42H25N3O.Pt/c1-2-10-28(11-3-1)29-17-19-30(20-18-29)33-24-22-32(27-36(33)37-13-8-9-25-43-37)45-39-15-6-4-12-34(39)35-23-21-31(26-40(35)45)42-44-38-14-5-7-16-41(38)46-42;/h1-25H;/q-2;+2
• InChIKey: OSCJGTRXZOLOPX-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.76
LogP ≤ 5	10.59
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-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?

The IUPAC name of 2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (CID 153285546) is 2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).

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

The canonical SMILES for 2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is [Pt+2].[c-]1c(-n2c3[c-]c(-c4nc5ccccc5o4)ccc3c3ccccc32)ccc(-c2ccc(-c3ccccc3)cc2)c1-c1ccccn1.

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

The InChIKey is OSCJGTRXZOLOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O.Pt/c1-2-10-28(11-3-1)29-17-19-30(20-18-29)33-24-22-32(27-36(33)37-13-8-9-25-43-37)45-39-15-6-4-12-34(39)35-23-21-31(26-40(35)45)42-44-38-14-5-7-16-41(38)46-42;/h1-25H;/q-2;+2.

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

2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) has a molecular weight of 782.76 g/mol, XLogP of 10.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-(4-phenylphenyl)-3-pyridin-2-ylbenzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is sourced from PubChem (CID 153285546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).