CID 159716535

C138H94N12O4Pt4-4 — CID 159716535

About CID 159716535

CID 159716535 (PubChem CID 159716535) has the molecular formula C138H94N12O4Pt4-4 and a molecular weight of 2764.66 g/mol.

Molecular Properties

• Compound Name: CID 159716535
• PubChem CID: 159716535
• Molecular Formula: C138H94N12O4Pt4-4
• Molecular Weight: 2764.66 g/mol
• Exact Mass: 2762.61
• IUPAC Name: —
• SMILES: CC(C)(C)c1ccc(O)c(-c2cccc(-c3[c-]c4c(cc3)c3cccc5c6cccnc6n4c35)n2)c1.CC(C)Cc1cc(-c2ccc3c4cccc5c6cccnc6n(c3n2)c54)[c-]c(-c2ccccc2O)c1.Cc1cccc(C)c1-c1cc(-c2ccc3c4cccc5c6cccnc6n(c3n2)c54)[c-]c(-c2ccccc2O)c1.Oc1ccccc1-c1[c-]c(-c2ccc3c4cccc5c6cccnc6n(c3n2)c54)cc(-c2ccc3ccccc3c2)c1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C38H22N3O.C36H24N3O.2C32H24N3O.4Pt/c42-35-13-4-3-9-29(35)27-20-26(25-15-14-23-7-1-2-8-24(23)19-25)21-28(22-27)34-17-16-33-31-11-5-10-30-32-12-6-18-39-37(32)41(36(30)31)38(33)40-34;1-21-8-5-9-22(2)33(21)25-19-23(26-10-3-4-14-32(26)40)18-24(20-25)31-16-15-30-28-12-6-11-27-29-13-7-17-37-35(29)39(34(27)28)36(30)38-31;1-32(2,3)20-13-15-29(36)25(18-20)27-11-5-10-26(34-27)19-12-14-21-22-7-4-8-23-24-9-6-16-33-31(24)35(30(22)23)28(21)17-19;1-19(2)15-20-16-21(23-7-3-4-11-29(23)36)18-22(17-20)28-13-12-27-25-9-5-8-24-26-10-6-14-33-31(26)35(30(24)25)32(27)34-28;;;;/h1-21,42H;3-17,19-20,40H,1-2H3;4-16,18,36H,1-3H3;3-14,16-17,19,36H,15H2,1-2H3;;;;/q4*-1
• InChIKey: ASAZQDNXGMOJRN-UHFFFAOYSA-N
• XLogP: 33.46
• TPSA: 201.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2764.66
LogP ≤ 5	33.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 159716535?

The IUPAC name of CID 159716535 (CID 159716535) is not available.

What is the SMILES notation for CID 159716535?

The canonical SMILES for CID 159716535 is CC(C)(C)c1ccc(O)c(-c2cccc(-c3[c-]c4c(cc3)c3cccc5c6cccnc6n4c35)n2)c1.CC(C)Cc1cc(-c2ccc3c4cccc5c6cccnc6n(c3n2)c54)[c-]c(-c2ccccc2O)c1.Cc1cccc(C)c1-c1cc(-c2ccc3c4cccc5c6cccnc6n(c3n2)c54)[c-]c(-c2ccccc2O)c1.Oc1ccccc1-c1[c-]c(-c2ccc3c4cccc5c6cccnc6n(c3n2)c54)cc(-c2ccc3ccccc3c2)c1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of CID 159716535?

The InChIKey is ASAZQDNXGMOJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N3O.C36H24N3O.2C32H24N3O.4Pt/c42-35-13-4-3-9-29(35)27-20-26(25-15-14-23-7-1-2-8-24(23)19-25)21-28(22-27)34-17-16-33-31-11-5-10-30-32-12-6-18-39-37(32)41(36(30)31)38(33)40-34;1-21-8-5-9-22(2)33(21)25-19-23(26-10-3-4-14-32(26)40)18-24(20-25)31-16-15-30-28-12-6-11-27-29-13-7-17-37-35(29)39(34(27)28)36(30)38-31;1-32(2,3)20-13-15-29(36)25(18-20)27-11-5-10-26(34-27)19-12-14-21-22-7-4-8-23-24-9-6-16-33-31(24)35(30(22)23)28(21)17-19;1-19(2)15-20-16-21(23-7-3-4-11-29(23)36)18-22(17-20)28-13-12-27-25-9-5-8-24-26-10-6-14-33-31(26)35(30(24)25)32(27)34-28;;;;/h1-21,42H;3-17,19-20,40H,1-2H3;4-16,18,36H,1-3H3;3-14,16-17,19,36H,15H2,1-2H3;;;;/q4*-1;;;;.

What are the key properties of CID 159716535?

CID 159716535 has a molecular weight of 2764.66 g/mol, XLogP of 33.46, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159716535 is sourced from PubChem (CID 159716535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).