2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole

C138H80N12O4Pt4 — CID 157296668

About 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole

2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 157296668) has the molecular formula C138H80N12O4Pt4 and a molecular weight of 2750.55 g/mol. Its IUPAC name is 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• PubChem CID: 157296668
• Molecular Formula: C138H80N12O4Pt4
• Molecular Weight: 2750.55 g/mol
• Exact Mass: 2748.50
• IUPAC Name: 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
• SMILES: [Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2c(-c3ccccc3)cccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-c3ccccc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccc(-c3ccccc3)cc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccccc21
• InChI: InChI=1S/3C36H21N3O.C30H17N3O.4Pt/c1-2-10-24(11-3-1)28-14-9-17-32-35(28)29-20-19-26(36-38-31-16-4-5-18-34(31)40-36)23-33(29)39(32)27-13-8-12-25(22-27)30-15-6-7-21-37-30;1-2-9-24(10-3-1)25-17-19-33-30(22-25)29-18-16-27(36-38-32-14-4-5-15-35(32)40-36)23-34(29)39(33)28-12-8-11-26(21-28)31-13-6-7-20-37-31;1-2-9-24(10-3-1)25-16-18-29-30-19-17-27(36-38-32-14-4-5-15-35(32)40-36)23-34(30)39(33(29)22-25)28-12-8-11-26(21-28)31-13-6-7-20-37-31;1-3-13-27-23(10-1)24-16-15-21(30-32-26-12-2-4-14-29(26)34-30)19-28(24)33(27)22-9-7-8-20(18-22)25-11-5-6-17-31-25;;;;/h1-21H;2*1-20,22H;1-17H;;;;/q4*-2;4*+2
• InChIKey: DIFVFDOGFYDGKB-UHFFFAOYSA-N
• XLogP: 34.01
• TPSA: 175.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2750.55
LogP ≤ 5	34.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The IUPAC name of 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 157296668) is 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

What is the SMILES notation for 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The canonical SMILES for 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is [Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2c(-c3ccccc3)cccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2cc(-c3ccccc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccc(-c3ccccc3)cc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4o3)ccc2c2ccccc21.

What is the InChIKey of 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

The InChIKey is DIFVFDOGFYDGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H21N3O.C30H17N3O.4Pt/c1-2-10-24(11-3-1)28-14-9-17-32-35(28)29-20-19-26(36-38-31-16-4-5-18-34(31)40-36)23-33(29)39(32)27-13-8-12-25(22-27)30-15-6-7-21-37-30;1-2-9-24(10-3-1)25-17-19-33-30(22-25)29-18-16-27(36-38-32-14-4-5-15-35(32)40-36)23-34(29)39(33)28-12-8-11-26(21-28)31-13-6-7-20-37-31;1-2-9-24(10-3-1)25-16-18-29-30-19-17-27(36-38-32-14-4-5-15-35(32)40-36)23-34(30)39(33(29)22-25)28-12-8-11-26(21-28)31-13-6-7-20-37-31;1-3-13-27-23(10-1)24-16-15-21(30-32-26-12-2-4-14-29(26)34-30)19-28(24)33(27)22-9-7-8-20(18-22)25-11-5-6-17-31-25;;;;/h1-21H;2*1-20,22H;1-17H;;;;/q4*-2;4*+2.

What are the key properties of 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?

2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole has a molecular weight of 2750.55 g/mol, XLogP of 34.01, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 157296668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).