azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol)

C44H68Cl2N2O6Pt — CID 165154319

About azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol)

azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol) (PubChem CID 165154319) has the molecular formula C44H68Cl2N2O6Pt and a molecular weight of 987.02 g/mol. Its IUPAC name is azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol).

Molecular Properties

• Compound Name: azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol)
• PubChem CID: 165154319
• Molecular Formula: C44H68Cl2N2O6Pt
• Molecular Weight: 987.02 g/mol
• Exact Mass: 985.41
• IUPAC Name: azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol)
• SMILES: C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1OCO.C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1OCO.Cl[Pt+2]Cl.[NH2-].[NH2-]
• InChI: InChI=1S/2C22H32O3.2ClH.2H2N.Pt/c2*1-5-6-7-8-17-12-20(24)22(21(13-17)25-14-23)19-11-16(4)9-10-18(19)15(2)3;;;;;/h2*11-13,18-19,23-24H,2,5-10,14H2,1,3-4H3;2*1H;2*1H2;/q;;;;2*-1;+4/p-2/t2*18-,19+;;;;;/m11...../s1
• InChIKey: JVKRMCSCWZEWLC-CXVPSUNPSA-L
• XLogP: 13.75
• TPSA: 166.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.02
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol)?

The IUPAC name of azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol) (CID 165154319) is azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol).

What is the SMILES notation for azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol)?

The canonical SMILES for azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol) is C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1OCO.C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1OCO.Cl[Pt+2]Cl.[NH2-].[NH2-].

What is the InChIKey of azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol)?

The InChIKey is JVKRMCSCWZEWLC-CXVPSUNPSA-L. The full InChI is InChI=1S/2C22H32O3.2ClH.2H2N.Pt/c2*1-5-6-7-8-17-12-20(24)22(21(13-17)25-14-23)19-11-16(4)9-10-18(19)15(2)3;;;;;/h2*11-13,18-19,23-24H,2,5-10,14H2,1,3-4H3;2*1H;2*1H2;/q;;;;2*-1;+4/p-2/t2*18-,19+;;;;;/m11...../s1.

What are the key properties of azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol)?

azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol) has a molecular weight of 987.02 g/mol, XLogP of 13.75, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;dichloroplatinum(2+);bis(3-(hydroxymethoxy)-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol) is sourced from PubChem (CID 165154319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).