CID 158563808

C140H84F23N15O12Pt5 — CID 158563808

About CID 158563808

CID 158563808 (PubChem CID 158563808) has the molecular formula C140H84F23N15O12Pt5 and a molecular weight of 3580.65 g/mol.

Molecular Properties

• Compound Name: CID 158563808
• PubChem CID: 158563808
• Molecular Formula: C140H84F23N15O12Pt5
• Molecular Weight: 3580.65 g/mol
• Exact Mass: 3578.43
• IUPAC Name: —
• SMILES: CC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3[c-]c(-c4ccccn4)ccc3)n2)c1.CC1(C)c2cccc(n2)Oc2[c-]c(c(F)c([N+](=O)[O-])c2F)C(=O)c2[c-]c(c(F)c([N+](=O)[O-])c2F)Oc2cccc1n2.FC(F)(F)c1cc2[c-]c(c1)Cc1cccc(n1)Cc1cccc(n1)Cc1[c-]c(cc(C(F)(F)F)c1)C2.O=C1c2[c-]c(cc(C(F)(F)F)c2)C(=O)c2ccnc(n2)C(=O)c2nccc(n2)C(=O)c2[c-]c1cc(C(F)(F)F)c2.[C-]#[N+]c1c(F)c2[c-]c(c1F)C(C)(C)c1cccc(n1)C(C)(C)c1cccc(n1)-c1[c-]c(c(F)c(C(F)(F)F)c1F)C2=O.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C31H18F7N3O.C29H28N2.C28H18F6N2.C26H8F6N4O4.C26H12F4N4O7.5Pt/c1-29(2)17-13-16(25(34)27(39-5)26(17)35)28(42)15-12-14(23(32)22(24(15)33)31(36,37)38)18-8-6-9-20(40-18)30(3,4)21-11-7-10-19(29)41-21;1-28(2,3)23-13-8-12-22(19-23)26-16-10-17-27(31-26)29(4,5)24-14-9-11-21(20-24)25-15-6-7-18-30-25;29-27(30,31)21-10-17-7-18-9-20(13-22(11-18)28(32,33)34)15-24-4-2-6-26(36-24)16-25-5-1-3-23(35-25)14-19(8-17)12-21;27-25(28,29)15-7-11-5-13(9-15)20(38)17-1-3-33-23(35-17)22(40)24-34-4-2-18(36-24)21(39)14-6-12(19(11)37)8-16(10-14)26(30,31)32;1-26(2)15-5-3-7-17(31-15)40-13-9-11(19(27)23(21(13)29)33(36)37)25(35)12-10-14(22(30)24(20(12)28)34(38)39)41-18-8-4-6-16(26)32-18;;;;;/h6-11H,1-4H3;6-11,13-19H,1-5H3;1-6,10-13H,7,14-16H2;1-4,7-10H;3-8H,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: HQKUYPQMOHPRQG-UHFFFAOYSA-N
• XLogP: 31.93
• TPSA: 366.20 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3580.65
LogP ≤ 5	31.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 158563808?

The IUPAC name of CID 158563808 (CID 158563808) is not available.

What is the SMILES notation for CID 158563808?

The canonical SMILES for CID 158563808 is CC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3[c-]c(-c4ccccn4)ccc3)n2)c1.CC1(C)c2cccc(n2)Oc2[c-]c(c(F)c([N+](=O)[O-])c2F)C(=O)c2[c-]c(c(F)c([N+](=O)[O-])c2F)Oc2cccc1n2.FC(F)(F)c1cc2[c-]c(c1)Cc1cccc(n1)Cc1cccc(n1)Cc1[c-]c(cc(C(F)(F)F)c1)C2.O=C1c2[c-]c(cc(C(F)(F)F)c2)C(=O)c2ccnc(n2)C(=O)c2nccc(n2)C(=O)c2[c-]c1cc(C(F)(F)F)c2.[C-]#[N+]c1c(F)c2[c-]c(c1F)C(C)(C)c1cccc(n1)C(C)(C)c1cccc(n1)-c1[c-]c(c(F)c(C(F)(F)F)c1F)C2=O.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of CID 158563808?

The InChIKey is HQKUYPQMOHPRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18F7N3O.C29H28N2.C28H18F6N2.C26H8F6N4O4.C26H12F4N4O7.5Pt/c1-29(2)17-13-16(25(34)27(39-5)26(17)35)28(42)15-12-14(23(32)22(24(15)33)31(36,37)38)18-8-6-9-20(40-18)30(3,4)21-11-7-10-19(29)41-21;1-28(2,3)23-13-8-12-22(19-23)26-16-10-17-27(31-26)29(4,5)24-14-9-11-21(20-24)25-15-6-7-18-30-25;29-27(30,31)21-10-17-7-18-9-20(13-22(11-18)28(32,33)34)15-24-4-2-6-26(36-24)16-25-5-1-3-23(35-25)14-19(8-17)12-21;27-25(28,29)15-7-11-5-13(9-15)20(38)17-1-3-33-23(35-17)22(40)24-34-4-2-18(36-24)21(39)14-6-12(19(11)37)8-16(10-14)26(30,31)32;1-26(2)15-5-3-7-17(31-15)40-13-9-11(19(27)23(21(13)29)33(36)37)25(35)12-10-14(22(30)24(20(12)28)34(38)39)41-18-8-4-6-16(26)32-18;;;;;/h6-11H,1-4H3;6-11,13-19H,1-5H3;1-6,10-13H,7,14-16H2;1-4,7-10H;3-8H,1-2H3;;;;;/q5*-2;5*+2.

What are the key properties of CID 158563808?

CID 158563808 has a molecular weight of 3580.65 g/mol, XLogP of 31.93, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158563808 is sourced from PubChem (CID 158563808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).