bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole

C64H54N6Pt2S2 — CID 157098158

About bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole

bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole (PubChem CID 157098158) has the molecular formula C64H54N6Pt2S2 and a molecular weight of 1361.47 g/mol. Its IUPAC name is bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole
• PubChem CID: 157098158
• Molecular Formula: C64H54N6Pt2S2
• Molecular Weight: 1361.47 g/mol
• Exact Mass: 1360.31
• IUPAC Name: bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole
• SMILES: CC(C)(C)C(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)(c1ccccn1)C(C)(C)C.CC(C)(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.[Pt+2].[Pt+2]
• InChI: InChI=1S/C35H33N3S.C29H21N3S.2Pt/c1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)38-29-15-8-7-14-27(29)28-18-17-24(22-30(28)38)32-37-20-21-39-32;1-29(2,27-12-5-6-15-30-27)21-8-7-9-22(19-21)32-25-11-4-3-10-23(25)24-14-13-20(18-26(24)32)28-31-16-17-33-28;;/h7-21H,1-6H3;3-17H,1-2H3;;/q2*-2;2*+2
• InChIKey: VOKOUYXARLGNGD-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 61.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1361.47
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?

The IUPAC name of bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole (CID 157098158) is bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole.

What is the SMILES notation for bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?

The canonical SMILES for bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole is CC(C)(C)C(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)(c1ccccn1)C(C)(C)C.CC(C)(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.[Pt+2].[Pt+2].

What is the InChIKey of bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?

The InChIKey is VOKOUYXARLGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N3S.C29H21N3S.2Pt/c1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)38-29-15-8-7-14-27(29)28-18-17-24(22-30(28)38)32-37-20-21-39-32;1-29(2,27-12-5-6-15-30-27)21-8-7-9-22(19-21)32-25-11-4-3-10-23(25)24-14-13-20(18-26(24)32)28-31-16-17-33-28;;/h7-21H,1-6H3;3-17H,1-2H3;;/q2*-2;2*+2.

What are the key properties of bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?

bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole has a molecular weight of 1361.47 g/mol, XLogP of 16.50, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(platinum(2+));2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole is sourced from PubChem (CID 157098158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).