CID 158664759

C152H120N12OPtS2 — CID 158664759

About CID 158664759

CID 158664759 (PubChem CID 158664759) has the molecular formula C152H120N12OPtS2 and a molecular weight of 2389.93 g/mol.

Molecular Properties

• Compound Name: CID 158664759
• PubChem CID: 158664759
• Molecular Formula: C152H120N12OPtS2
• Molecular Weight: 2389.93 g/mol
• Exact Mass: 2387.88
• IUPAC Name: —
• SMILES: CCC(C)Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1.CCC(C)Cc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccc[c-]c6n6nccc6c5s4)ccc32)cc1.CCC(C)Cc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccc[c-]c6n6nccc6c5s4)ccc32)cc1.CCC(C)Cc1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1.[Pt+2]
• InChI: InChI=1S/C47H36N2O.2C36H28N3S.C33H28N4.Pt/c1-3-30(2)24-31-20-22-46-40(25-31)41-28-32(21-23-47(41)50-46)33-26-34(48-42-16-8-4-12-36(42)37-13-5-9-17-43(37)48)29-35(27-33)49-44-18-10-6-14-38(44)39-15-7-11-19-45(39)49;2*1-3-23(2)20-24-12-15-26(16-13-24)38-31-10-6-4-8-27(31)29-21-25(14-17-32(29)38)35-22-30-28-9-5-7-11-33(28)39-34(18-19-37-39)36(30)40-35;1-3-22(2)18-23-19-24(36-28-12-6-4-10-26(28)32-30(36)14-8-16-34-32)21-25(20-23)37-29-13-7-5-11-27(29)33-31(37)15-9-17-35-33;/h4-23,25-30H,3,24H2,1-2H3;2*4-10,12-19,21-23H,3,20H2,1-2H3;4-17,19-22H,3,18H2,1-2H3;/q;2*-1;;+2
• InChIKey: CUNYEZJGDVMEKI-UHFFFAOYSA-N
• XLogP: 41.00
• TPSA: 103.10 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2389.93
LogP ≤ 5	41.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158664759?

The IUPAC name of CID 158664759 (CID 158664759) is not available.

What is the SMILES notation for CID 158664759?

The canonical SMILES for CID 158664759 is CCC(C)Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1.CCC(C)Cc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccc[c-]c6n6nccc6c5s4)ccc32)cc1.CCC(C)Cc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccc[c-]c6n6nccc6c5s4)ccc32)cc1.CCC(C)Cc1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1.[Pt+2].

What is the InChIKey of CID 158664759?

The InChIKey is CUNYEZJGDVMEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2O.2C36H28N3S.C33H28N4.Pt/c1-3-30(2)24-31-20-22-46-40(25-31)41-28-32(21-23-47(41)50-46)33-26-34(48-42-16-8-4-12-36(42)37-13-5-9-17-43(37)48)29-35(27-33)49-44-18-10-6-14-38(44)39-15-7-11-19-45(39)49;2*1-3-23(2)20-24-12-15-26(16-13-24)38-31-10-6-4-8-27(31)29-21-25(14-17-32(29)38)35-22-30-28-9-5-7-11-33(28)39-34(18-19-37-39)36(30)40-35;1-3-22(2)18-23-19-24(36-28-12-6-4-10-26(28)32-30(36)14-8-16-34-32)21-25(20-23)37-29-13-7-5-11-27(29)33-31(37)15-9-17-35-33;/h4-23,25-30H,3,24H2,1-2H3;2*4-10,12-19,21-23H,3,20H2,1-2H3;4-17,19-22H,3,18H2,1-2H3;/q;2*-1;;+2.

What are the key properties of CID 158664759?

CID 158664759 has a molecular weight of 2389.93 g/mol, XLogP of 41.00, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158664759 is sourced from PubChem (CID 158664759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).