(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum

C38H50NO2Pt- — CID 170539608

About (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum (PubChem CID 170539608) has the molecular formula C38H50NO2Pt- and a molecular weight of 747.90 g/mol. Its IUPAC name is (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum.

Molecular Properties

• Compound Name: (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum
• PubChem CID: 170539608
• Molecular Formula: C38H50NO2Pt-
• Molecular Weight: 747.90 g/mol
• Exact Mass: 747.35
• IUPAC Name: (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum
• SMILES: CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1[c-]c(-c2ccc(C3CCC(c4ccccc4)CC3)cn2)cc(C)c1.[Pt]
• InChI: InChI=1S/C25H26N.C13H24O2.Pt/c1-18-14-19(2)16-24(15-18)25-13-12-23(17-26-25)22-10-8-21(9-11-22)20-6-4-3-5-7-20;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h3-7,12-15,17,21-22H,8-11H2,1-2H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-
• InChIKey: VLLWHSKGVPWLPN-DZTQYQPZSA-N
• XLogP: 10.47
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.90
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum?

The IUPAC name of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum (CID 170539608) is (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum.

What is the SMILES notation for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum?

The canonical SMILES for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum is CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1[c-]c(-c2ccc(C3CCC(c4ccccc4)CC3)cn2)cc(C)c1.[Pt].

What is the InChIKey of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum?

The InChIKey is VLLWHSKGVPWLPN-DZTQYQPZSA-N. The full InChI is InChI=1S/C25H26N.C13H24O2.Pt/c1-18-14-19(2)16-24(15-18)25-13-12-23(17-26-25)22-10-8-21(9-11-22)20-6-4-3-5-7-20;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h3-7,12-15,17,21-22H,8-11H2,1-2H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;.

What are the key properties of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum?

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum has a molecular weight of 747.90 g/mol, XLogP of 10.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(4-phenylcyclohexyl)pyridine;platinum is sourced from PubChem (CID 170539608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).