CID 158870466

C106H100F6N24O2Pt4 — CID 158870466

About CID 158870466

CID 158870466 (PubChem CID 158870466) has the molecular formula C106H100F6N24O2Pt4 and a molecular weight of 2636.43 g/mol.

Molecular Properties

• Compound Name: CID 158870466
• PubChem CID: 158870466
• Molecular Formula: C106H100F6N24O2Pt4
• Molecular Weight: 2636.43 g/mol
• Exact Mass: 2634.70
• IUPAC Name: —
• SMILES: CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C)c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C1C=CN(c2[c-]ccc3c2oc2ccccc23)[N-]1)C1C=CN(c2[c-]ccc3c2oc2ccccc23)[N-]1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+4]
• InChI: InChI=1S/C33H24N4O2.C27H32N6.C25H30N8.C21H14F6N6.4Pt/c1-33(2,29-17-19-36(34-29)25-13-7-11-23-21-9-3-5-15-27(21)38-31(23)25)30-18-20-37(35-30)26-14-8-12-24-22-10-4-6-16-28(22)39-32(24)26;1-25(2,3)19-15-17-32(30-19)23-13-9-11-21(28-23)27(7,8)22-12-10-14-24(29-22)33-18-16-20(31-33)26(4,5)6;1-23(2,3)21-26-15-32(30-21)19-13-9-11-17(28-19)25(7,8)18-12-10-14-20(29-18)33-16-27-22(31-33)24(4,5)6;1-19(2,13-5-3-7-17(28-13)32-11-9-15(30-32)20(22,23)24)14-6-4-8-18(29-14)33-12-10-16(31-33)21(25,26)27;;;;/h3-12,15-20,29-30H,1-2H3;9-16H,1-8H3;9-14H,1-8H3;3-10H,1-2H3;;;;/q-4;3*-2;3*+2;+4
• InChIKey: POMSYCVUQFZOON-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 271.00 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.43
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158870466?

The IUPAC name of CID 158870466 (CID 158870466) is not available.

What is the SMILES notation for CID 158870466?

The canonical SMILES for CID 158870466 is CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C)c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C1C=CN(c2[c-]ccc3c2oc2ccccc23)[N-]1)C1C=CN(c2[c-]ccc3c2oc2ccccc23)[N-]1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+4].

What is the InChIKey of CID 158870466?

The InChIKey is POMSYCVUQFZOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O2.C27H32N6.C25H30N8.C21H14F6N6.4Pt/c1-33(2,29-17-19-36(34-29)25-13-7-11-23-21-9-3-5-15-27(21)38-31(23)25)30-18-20-37(35-30)26-14-8-12-24-22-10-4-6-16-28(22)39-32(24)26;1-25(2,3)19-15-17-32(30-19)23-13-9-11-21(28-23)27(7,8)22-12-10-14-24(29-22)33-18-16-20(31-33)26(4,5)6;1-23(2,3)21-26-15-32(30-21)19-13-9-11-17(28-19)25(7,8)18-12-10-14-20(29-18)33-16-27-22(31-33)24(4,5)6;1-19(2,13-5-3-7-17(28-13)32-11-9-15(30-32)20(22,23)24)14-6-4-8-18(29-14)33-12-10-16(31-33)21(25,26)27;;;;/h3-12,15-20,29-30H,1-2H3;9-16H,1-8H3;9-14H,1-8H3;3-10H,1-2H3;;;;/q-4;3*-2;3*+2;+4.

What are the key properties of CID 158870466?

CID 158870466 has a molecular weight of 2636.43 g/mol, XLogP of 23.12, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158870466 is sourced from PubChem (CID 158870466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).