CID 161171392

C149H144F4N14O2Pt5 — CID 161171392

About CID 161171392

CID 161171392 (PubChem CID 161171392) has the molecular formula C149H144F4N14O2Pt5 and a molecular weight of 3214.27 g/mol.

Molecular Properties

• Compound Name: CID 161171392
• PubChem CID: 161171392
• Molecular Formula: C149H144F4N14O2Pt5
• Molecular Weight: 3214.27 g/mol
• Exact Mass: 3211.98
• IUPAC Name: —
• SMILES: CC1(C)c2[c-]c(ccc2)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c(ccc2)-c2cccc1n2.CCc1c(CC)/c2[n-]/c1=C(/C)c1cccc(n1)-c1cccc(n1)/C(C)=c1\[n-]/c=2c(CC)c1CC.CCc1c2[n-]c(c1CC)C(C)(C)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1cccc-2n1.CCc1c2[n-]c(c1CC)C(C)(C)c1cccc(n1)C(C)(C)c1[c-]c(ccc1)C(C)(C)c1cccc(n1)C2(C)C.Fc1cc(F)c2[c-]c1Oc1cccc(n1)-c1[c-]c(c(F)cc1F)Oc1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C36H43N3.C31H30N2.C30H32N4.C30H31N3.C22H8F4N2O2.5Pt/c1-11-25-26(12-2)32-36(9,10)30-21-15-19-28(38-30)34(5,6)24-17-13-16-23(22-24)33(3,4)27-18-14-20-29(37-27)35(7,8)31(25)39-32;1-29(2)22-12-7-11-21(19-22)25-15-9-16-26(32-25)30(3,4)23-13-8-14-24(20-23)31(5,6)28-18-10-17-27(29)33-28;1-7-19-21(9-3)29-30-22(10-4)20(8-2)28(34-30)18(6)24-14-12-16-26(32-24)25-15-11-13-23(31-25)17(5)27(19)33-29;1-7-21-22(8-2)28-30(5,6)26-17-10-14-23(31-26)19-12-9-13-20(18-19)29(3,4)25-16-11-15-24(32-25)27(21)33-28;23-13-9-16(26)20-7-11(13)17-3-1-5-21(27-17)29-19-8-12(14(24)10-15(19)25)18-4-2-6-22(28-18)30-20;;;;;/h13-21H,11-12H2,1-10H3;7-18H,1-6H3;11-16H,7-10H2,1-6H3;9-17H,7-8H2,1-6H3;1-6,9-10H;;;;;/q5*-2;5*+2/b;;27-17-,28-18-,30-29-
• InChIKey: KGBWDUMRMLJAEX-VVHSBXGWSA-N
• XLogP: 31.87
• TPSA: 203.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3214.27
LogP ≤ 5	31.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 161171392?

The IUPAC name of CID 161171392 (CID 161171392) is not available.

What is the SMILES notation for CID 161171392?

The canonical SMILES for CID 161171392 is CC1(C)c2[c-]c(ccc2)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c(ccc2)-c2cccc1n2.CCc1c(CC)/c2[n-]/c1=C(/C)c1cccc(n1)-c1cccc(n1)/C(C)=c1\[n-]/c=2c(CC)c1CC.CCc1c2[n-]c(c1CC)C(C)(C)c1cccc(n1)-c1[c-]c(ccc1)C(C)(C)c1cccc-2n1.CCc1c2[n-]c(c1CC)C(C)(C)c1cccc(n1)C(C)(C)c1[c-]c(ccc1)C(C)(C)c1cccc(n1)C2(C)C.Fc1cc(F)c2[c-]c1Oc1cccc(n1)-c1[c-]c(c(F)cc1F)Oc1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of CID 161171392?

The InChIKey is KGBWDUMRMLJAEX-VVHSBXGWSA-N. The full InChI is InChI=1S/C36H43N3.C31H30N2.C30H32N4.C30H31N3.C22H8F4N2O2.5Pt/c1-11-25-26(12-2)32-36(9,10)30-21-15-19-28(38-30)34(5,6)24-17-13-16-23(22-24)33(3,4)27-18-14-20-29(37-27)35(7,8)31(25)39-32;1-29(2)22-12-7-11-21(19-22)25-15-9-16-26(32-25)30(3,4)23-13-8-14-24(20-23)31(5,6)28-18-10-17-27(29)33-28;1-7-19-21(9-3)29-30-22(10-4)20(8-2)28(34-30)18(6)24-14-12-16-26(32-24)25-15-11-13-23(31-25)17(5)27(19)33-29;1-7-21-22(8-2)28-30(5,6)26-17-10-14-23(31-26)19-12-9-13-20(18-19)29(3,4)25-16-11-15-24(32-25)27(21)33-28;23-13-9-16(26)20-7-11(13)17-3-1-5-21(27-17)29-19-8-12(14(24)10-15(19)25)18-4-2-6-22(28-18)30-20;;;;;/h13-21H,11-12H2,1-10H3;7-18H,1-6H3;11-16H,7-10H2,1-6H3;9-17H,7-8H2,1-6H3;1-6,9-10H;;;;;/q5*-2;5*+2/b;;27-17-,28-18-,30-29-;;;;;;;.

What are the key properties of CID 161171392?

CID 161171392 has a molecular weight of 3214.27 g/mol, XLogP of 31.87, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for CID 161171392 is sourced from PubChem (CID 161171392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).