bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)

C70H66N6O8Pt4-4 — CID 159338664

About bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)

bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) (PubChem CID 159338664) has the molecular formula C70H66N6O8Pt4-4 and a molecular weight of 1899.64 g/mol. Its IUPAC name is bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)
• PubChem CID: 159338664
• Molecular Formula: C70H66N6O8Pt4-4
• Molecular Weight: 1899.64 g/mol
• Exact Mass: 1898.36
• IUPAC Name: bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Pt].[Pt].[Pt].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C13H8N.2C11H8N.2C6H5NO2.2C5H12O2.4Pt/c2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h2*1-5,7-9H;2*1-6,8-9H;2*1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;;/q4*-1
• InChIKey: KOIMFWKJXFTYKE-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 232.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1899.64
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)?

The IUPAC name of bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) (CID 159338664) is bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) is CC(O)CC(C)O.CC(O)CC(C)O.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Pt].[Pt].[Pt].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)?

The InChIKey is KOIMFWKJXFTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H8N.2C11H8N.2C6H5NO2.2C5H12O2.4Pt/c2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h2*1-5,7-9H;2*1-6,8-9H;2*1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)?

bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) has a molecular weight of 1899.64 g/mol, XLogP of 13.30, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159338664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).