(4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)

C39H33N3OPt — CID 170935480

About (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)

(4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) (PubChem CID 170935480) has the molecular formula C39H33N3OPt and a molecular weight of 754.79 g/mol. Its IUPAC name is (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
• PubChem CID: 170935480
• Molecular Formula: C39H33N3OPt
• Molecular Weight: 754.79 g/mol
• Exact Mass: 754.23
• IUPAC Name: (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
• SMILES: Cc1ccnc(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C3=N[C@H](C4CCCCC4)CO3)cc(-c3ccccc3)c2)c1.[Pt+2]
• InChI: InChI=1S/C39H33N3O.Pt/c1-26-18-19-40-35(20-26)29-16-17-34-33-14-8-9-15-37(33)42(38(34)24-29)32-22-30(27-10-4-2-5-11-27)21-31(23-32)39-41-36(25-43-39)28-12-6-3-7-13-28;/h2,4-5,8-11,14-22,28,36H,3,6-7,12-13,25H2,1H3;/q-2;+2/t36-;/m0./s1
• InChIKey: KBIOELCKYPQWPL-KGLWNCEWSA-N
• XLogP: 9.14
• TPSA: 39.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.79
LogP ≤ 5	9.14
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 (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)?

The IUPAC name of (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) (CID 170935480) is (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+).

What is the SMILES notation for (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)?

The canonical SMILES for (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) is Cc1ccnc(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C3=N[C@H](C4CCCCC4)CO3)cc(-c3ccccc3)c2)c1.[Pt+2].

What is the InChIKey of (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)?

The InChIKey is KBIOELCKYPQWPL-KGLWNCEWSA-N. The full InChI is InChI=1S/C39H33N3O.Pt/c1-26-18-19-40-35(20-26)29-16-17-34-33-14-8-9-15-37(33)42(38(34)24-29)32-22-30(27-10-4-2-5-11-27)21-31(23-32)39-41-36(25-43-39)28-12-6-3-7-13-28;/h2,4-5,8-11,14-22,28,36H,3,6-7,12-13,25H2,1H3;/q-2;+2/t36-;/m0./s1.

What are the key properties of (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)?

(4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) has a molecular weight of 754.79 g/mol, XLogP of 9.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170935480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).