CID 162058233

C153H136CuN22Pt4S2 — CID 162058233

About CID 162058233

CID 162058233 (PubChem CID 162058233) has the molecular formula C153H136CuN22Pt4S2 and a molecular weight of 3190.92 g/mol.

Molecular Properties

• Compound Name: CID 162058233
• PubChem CID: 162058233
• Molecular Formula: C153H136CuN22Pt4S2
• Molecular Weight: 3190.92 g/mol
• Exact Mass: 3187.86
• IUPAC Name: —
• SMILES: C/C1=N\c2ccccc2/N=C(\C)C(C)(C)c2[n-]c(c3ccccc23)C(C)(C)c2[n-]c(c3ccccc23)C1(C)C.CC1(C)/C=N/c2ccccc2/N=C/C(C)(C)c2[n-]c(c3ccccc23)-c2[n-]c1c1ccccc21.Cc1[c-]c2ccccc2[c-]c(C)c2[n-]c(c(C)c2C)c2[n-]c1c(C)c2C.Cc1c2[n-]c(c1C)C(C)(C)c1nc3c4nc(n(C)c4ccc3n1C)C(C)(C)c1[n-]c-2c(C)c1C.[Cu+2].[Pt+2].[Pt+2].[Pt+2].[Pt+4].c1ccc(-n2c3nc4c(ccc5sc(nc54)n(-c4ccccc4)c4[n-]c(c5ccccc54)c4[n-]c2c2ccccc24)s3)cc1
• InChI: InChI=1S/C36H20N6S2.C35H36N4.C30H26N4.C28H32N6.C24H22N2.Cu.4Pt/c1-3-11-21(12-4-1)41-33-25-17-9-7-15-23(25)29(37-33)30-24-16-8-10-18-26(24)34(38-30)42(22-13-5-2-6-14-22)36-40-32-28(44-36)20-19-27-31(32)39-35(41)43-27;1-21-33(3,4)29-23-15-9-11-17-25(23)31(38-29)35(7,8)32-26-18-12-10-16-24(26)30(39-32)34(5,6)22(2)37-28-20-14-13-19-27(28)36-21;1-29(2)17-31-23-15-9-10-16-24(23)32-18-30(3,4)28-22-14-8-6-12-20(22)26(34-28)25-19-11-5-7-13-21(19)27(29)33-25;1-13-15(3)23-27(5,6)25-31-21-17(33(25)9)11-12-18-22(21)32-26(34(18)10)28(7,8)24-16(4)14(2)20(30-24)19(13)29-23;1-13-11-19-9-7-8-10-20(19)12-14(2)22-16(4)18(6)24(26-22)23-17(5)15(3)21(13)25-23;;;;;/h1-20H;9-20H,1-8H3;5-18H,1-4H3;11-12H,1-10H3;7-10H,1-6H3;;;;;/q4*-2;-4;4*+2;+4/b;36-21+,37-22+;31-17+,32-18+;;21-13-,22-14-,24-23-
• InChIKey: NPINVXWPOJQPHE-UGAAALORSA-N
• XLogP: 36.09
• TPSA: 261.72 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 2
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3190.92
LogP ≤ 5	36.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 162058233?

The IUPAC name of CID 162058233 (CID 162058233) is not available.

What is the SMILES notation for CID 162058233?

The canonical SMILES for CID 162058233 is C/C1=N\c2ccccc2/N=C(\C)C(C)(C)c2[n-]c(c3ccccc23)C(C)(C)c2[n-]c(c3ccccc23)C1(C)C.CC1(C)/C=N/c2ccccc2/N=C/C(C)(C)c2[n-]c(c3ccccc23)-c2[n-]c1c1ccccc21.Cc1[c-]c2ccccc2[c-]c(C)c2[n-]c(c(C)c2C)c2[n-]c1c(C)c2C.Cc1c2[n-]c(c1C)C(C)(C)c1nc3c4nc(n(C)c4ccc3n1C)C(C)(C)c1[n-]c-2c(C)c1C.[Cu+2].[Pt+2].[Pt+2].[Pt+2].[Pt+4].c1ccc(-n2c3nc4c(ccc5sc(nc54)n(-c4ccccc4)c4[n-]c(c5ccccc54)c4[n-]c2c2ccccc24)s3)cc1.

What is the InChIKey of CID 162058233?

The InChIKey is NPINVXWPOJQPHE-UGAAALORSA-N. The full InChI is InChI=1S/C36H20N6S2.C35H36N4.C30H26N4.C28H32N6.C24H22N2.Cu.4Pt/c1-3-11-21(12-4-1)41-33-25-17-9-7-15-23(25)29(37-33)30-24-16-8-10-18-26(24)34(38-30)42(22-13-5-2-6-14-22)36-40-32-28(44-36)20-19-27-31(32)39-35(41)43-27;1-21-33(3,4)29-23-15-9-11-17-25(23)31(38-29)35(7,8)32-26-18-12-10-16-24(26)30(39-32)34(5,6)22(2)37-28-20-14-13-19-27(28)36-21;1-29(2)17-31-23-15-9-10-16-24(23)32-18-30(3,4)28-22-14-8-6-12-20(22)26(34-28)25-19-11-5-7-13-21(19)27(29)33-25;1-13-15(3)23-27(5,6)25-31-21-17(33(25)9)11-12-18-22(21)32-26(34(18)10)28(7,8)24-16(4)14(2)20(30-24)19(13)29-23;1-13-11-19-9-7-8-10-20(19)12-14(2)22-16(4)18(6)24(26-22)23-17(5)15(3)21(13)25-23;;;;;/h1-20H;9-20H,1-8H3;5-18H,1-4H3;11-12H,1-10H3;7-10H,1-6H3;;;;;/q4*-2;-4;4*+2;+4/b;36-21+,37-22+;31-17+,32-18+;;21-13-,22-14-,24-23-;;;;;.

What are the key properties of CID 162058233?

CID 162058233 has a molecular weight of 3190.92 g/mol, XLogP of 36.09, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for CID 162058233 is sourced from PubChem (CID 162058233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).