CID 157345022

C154H130F14N12Pt5 — CID 157345022

About CID 157345022

CID 157345022 (PubChem CID 157345022) has the molecular formula C154H130F14N12Pt5 and a molecular weight of 3390.18 g/mol.

Molecular Properties

• Compound Name: CID 157345022
• PubChem CID: 157345022
• Molecular Formula: C154H130F14N12Pt5
• Molecular Weight: 3390.18 g/mol
• Exact Mass: 3387.86
• IUPAC Name: —
• SMILES: CC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cccc(n1)-c1[c-]c(cc(C(C)(C)C)c1)C(C)(C)c1cccc-2n1.CC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1cccc-2n1.CC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1[c-]c(-c2ccccn2)c(F)c(C(F)(F)F)c1F.Cc1cc2[c-]c(c1)C(C)(C)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1cccc-2n1.[C-]#[N+]c1c(F)c2[c-]c(c1F)C(C)(C)c1cccc(n1)-c1[c-]c(c(F)c(C#N)c1F)C(C)(C)c1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C36H40N2.C32H32N2.C30H18F4N4.C29H26N2.C27H14F10N2.5Pt/c1-33(2,3)25-17-23-19-27(21-25)35(7,8)31-15-12-14-30(38-31)24-18-26(34(4,5)6)22-28(20-24)36(9,10)32-16-11-13-29(23)37-32;1-30(2,3)24-18-22-19-25(20-24)32(6,7)29-16-9-13-26(33-29)21-11-8-12-23(17-21)31(4,5)28-15-10-14-27(22)34-28;1-29(2)18-12-15(24(31)17(14-35)25(18)32)20-8-6-11-23(37-20)30(3,4)19-13-16(21-9-7-10-22(29)38-21)26(33)28(36-5)27(19)34;1-19-15-21-18-23(16-19)29(4,5)27-14-7-11-24(30-27)20-9-6-10-22(17-20)28(2,3)26-13-8-12-25(21)31-26;1-25(2,15-12-14(17-6-3-4-11-38-17)23(30)21(24(15)31)27(35,36)37)19-8-5-7-18(39-19)13-9-10-16(28)20(22(13)29)26(32,33)34;;;;;/h11-18,21-22H,1-10H3;8-16,18,20H,1-7H3;6-11H,1-4H3;6-16H,1-5H3;3-8,10-11H,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: KIQGUAJTAPTEIL-UHFFFAOYSA-N
• XLogP: 39.00
• TPSA: 157.05 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3390.18
LogP ≤ 5	39.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 157345022?

The IUPAC name of CID 157345022 (CID 157345022) is not available.

What is the SMILES notation for CID 157345022?

The canonical SMILES for CID 157345022 is CC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cccc(n1)-c1[c-]c(cc(C(C)(C)C)c1)C(C)(C)c1cccc-2n1.CC(C)(C)c1cc2[c-]c(c1)C(C)(C)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1cccc-2n1.CC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1[c-]c(-c2ccccn2)c(F)c(C(F)(F)F)c1F.Cc1cc2[c-]c(c1)C(C)(C)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1cccc-2n1.[C-]#[N+]c1c(F)c2[c-]c(c1F)C(C)(C)c1cccc(n1)-c1[c-]c(c(F)c(C#N)c1F)C(C)(C)c1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of CID 157345022?

The InChIKey is KIQGUAJTAPTEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2.C32H32N2.C30H18F4N4.C29H26N2.C27H14F10N2.5Pt/c1-33(2,3)25-17-23-19-27(21-25)35(7,8)31-15-12-14-30(38-31)24-18-26(34(4,5)6)22-28(20-24)36(9,10)32-16-11-13-29(23)37-32;1-30(2,3)24-18-22-19-25(20-24)32(6,7)29-16-9-13-26(33-29)21-11-8-12-23(17-21)31(4,5)28-15-10-14-27(22)34-28;1-29(2)18-12-15(24(31)17(14-35)25(18)32)20-8-6-11-23(37-20)30(3,4)19-13-16(21-9-7-10-22(29)38-21)26(33)28(36-5)27(19)34;1-19-15-21-18-23(16-19)29(4,5)27-14-7-11-24(30-27)20-9-6-10-22(17-20)28(2,3)26-13-8-12-25(21)31-26;1-25(2,15-12-14(17-6-3-4-11-38-17)23(30)21(24(15)31)27(35,36)37)19-8-5-7-18(39-19)13-9-10-16(28)20(22(13)29)26(32,33)34;;;;;/h11-18,21-22H,1-10H3;8-16,18,20H,1-7H3;6-11H,1-4H3;6-16H,1-5H3;3-8,10-11H,1-2H3;;;;;/q5*-2;5*+2.

What are the key properties of CID 157345022?

CID 157345022 has a molecular weight of 3390.18 g/mol, XLogP of 39.00, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157345022 is sourced from PubChem (CID 157345022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).