CID 159192079

C166H108N12O5Pt5 — CID 159192079

About CID 159192079

CID 159192079 (PubChem CID 159192079) has the molecular formula C166H108N12O5Pt5 and a molecular weight of 3326.16 g/mol.

Molecular Properties

• Compound Name: CID 159192079
• PubChem CID: 159192079
• Molecular Formula: C166H108N12O5Pt5
• Molecular Weight: 3326.16 g/mol
• Exact Mass: 3323.68
• IUPAC Name: —
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n2c4ccccc4nc32)[c-]c(-c2cc3ccccc3cn2)c1.CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)cc4ccccc34)cc3ccccc23)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc2ccccc2c1Oc1[c-]c(-c2ccccn2)c2ccccc2c1.[c-]1c(Oc2[c-]c(-c3ccccn3)c3ccccc3c2)cccc1-c1nccc2ccccc12.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c4ccccc4nc32)cccc1-c1cc2ccccc2cn1
• InChI: InChI=1S/C38H27N3O.C34H19N3O.C34H26N2O.2C30H18N2O.5Pt/c1-38(2,3)27-18-26(34-20-24-10-4-5-11-25(24)23-39-34)19-29(21-27)42-28-16-17-30-31-12-6-8-14-35(31)41-36-15-9-7-13-33(36)40-37(41)32(30)22-28;1-2-9-24-21-35-31(19-22(24)8-1)23-10-7-11-25(18-23)38-26-16-17-27-28-12-3-5-14-32(28)37-33-15-6-4-13-30(33)36-34(37)29(27)20-26;1-34(2,3)26-15-17-36-32(21-26)30-22-27(19-24-11-4-6-12-28(24)30)37-33-20-25(31-14-8-9-16-35-31)18-23-10-5-7-13-29(23)33;1-4-13-27-21(8-1)15-17-32-30(27)23-10-7-11-24(19-23)33-25-18-22-9-2-3-12-26(22)28(20-25)29-14-5-6-16-31-29;1-3-11-25-22(10-1)18-24(20-27(25)29-14-6-8-16-32-29)33-30-19-23(28-13-5-7-15-31-28)17-21-9-2-4-12-26(21)30;;;;;/h4-18,20-21,23H,1-3H3;1-17,19,21H;4-19,21H,1-3H3;2*1-18H;;;;;/q5*-2;5*+2
• InChIKey: XUVUVXHVTRRFRS-UHFFFAOYSA-N
• XLogP: 41.92
• TPSA: 183.87 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3326.16
LogP ≤ 5	41.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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 CID 159192079?

The IUPAC name of CID 159192079 (CID 159192079) is not available.

What is the SMILES notation for CID 159192079?

The canonical SMILES for CID 159192079 is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n2c4ccccc4nc32)[c-]c(-c2cc3ccccc3cn2)c1.CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)cc4ccccc34)cc3ccccc23)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc2ccccc2c1Oc1[c-]c(-c2ccccn2)c2ccccc2c1.[c-]1c(Oc2[c-]c(-c3ccccn3)c3ccccc3c2)cccc1-c1nccc2ccccc12.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c4ccccc4nc32)cccc1-c1cc2ccccc2cn1.

What is the InChIKey of CID 159192079?

The InChIKey is XUVUVXHVTRRFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3O.C34H19N3O.C34H26N2O.2C30H18N2O.5Pt/c1-38(2,3)27-18-26(34-20-24-10-4-5-11-25(24)23-39-34)19-29(21-27)42-28-16-17-30-31-12-6-8-14-35(31)41-36-15-9-7-13-33(36)40-37(41)32(30)22-28;1-2-9-24-21-35-31(19-22(24)8-1)23-10-7-11-25(18-23)38-26-16-17-27-28-12-3-5-14-32(28)37-33-15-6-4-13-30(33)36-34(37)29(27)20-26;1-34(2,3)26-15-17-36-32(21-26)30-22-27(19-24-11-4-6-12-28(24)30)37-33-20-25(31-14-8-9-16-35-31)18-23-10-5-7-13-29(23)33;1-4-13-27-21(8-1)15-17-32-30(27)23-10-7-11-24(19-23)33-25-18-22-9-2-3-12-26(22)28(20-25)29-14-5-6-16-31-29;1-3-11-25-22(10-1)18-24(20-27(25)29-14-6-8-16-32-29)33-30-19-23(28-13-5-7-15-31-28)17-21-9-2-4-12-26(21)30;;;;;/h4-18,20-21,23H,1-3H3;1-17,19,21H;4-19,21H,1-3H3;2*1-18H;;;;;/q5*-2;5*+2.

What are the key properties of CID 159192079?

CID 159192079 has a molecular weight of 3326.16 g/mol, XLogP of 41.92, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159192079 is sourced from PubChem (CID 159192079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).