CID 161361283

C125H90F15N18O2Pt5- — CID 161361283

IUPAC—
SMILESCC(C)(C)c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)n1.CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2nc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.Fc1ccc[c-]c1-c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C35H23FN2.C25H23F2N5.C23H15F5N4.C22H14F5N5.C20H15F2N2O2.5Pt/c36-30-21-11-10-20-29(30)32-23-13-25-34(38-32)35(27-16-6-2-7-17-27,28-18-8-3-9-19-28)33-24-12-22-31(37-33)26-14-4-1-5-15-26;1-24(2,3)23-28-15-32(31-23)22-11-7-10-21(30-22)25(4,5)20-9-6-8-19(29-20)17-13-12-16(26)14-18(17)27;1-22(2,19-7-3-5-16(29-19)14-10-9-13(24)11-15(14)25)20-8-4-6-17(30-20)18-12-21(32-31-18)23(26,27)28;1-21(2,17-7-3-5-15(28-17)13-10-9-12(23)11-14(13)24)18-8-4-6-16(29-18)19-30-20(32-31-19)22(25,26)27;1-20(2,18-8-4-6-16(24-18)19(25)26)17-7-3-5-15(23-17)13-10-9-12(21)11-14(13)22;;;;;/h1-14,16-19,21-25H;6-12,14H,1-5H3;3-9,11-12H,1-2H3;3-9,11H,1-2H3;3-9,11H,1-2H3,(H,25,26);;;;;/q4*-2;-1;;4*+2
InChIKeyLXPQAYOAZAECME-UHFFFAOYSA-N
MW3136.58 g/mol
LogP27.96
Rot. Bonds22

About CID 161361283

CID 161361283 (PubChem CID 161361283) has the molecular formula C125H90F15N18O2Pt5- and a molecular weight of 3136.58 g/mol.

Molecular Properties

Compound NameCID 161361283
PubChem CID161361283
Molecular FormulaC125H90F15N18O2Pt5-
Molecular Weight3136.58 g/mol
Exact Mass3134.55
IUPAC Name—
SMILESCC(C)(C)c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)n1.CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2nc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.Fc1ccc[c-]c1-c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C35H23FN2.C25H23F2N5.C23H15F5N4.C22H14F5N5.C20H15F2N2O2.5Pt/c36-30-21-11-10-20-29(30)32-23-13-25-34(38-32)35(27-16-6-2-7-17-27,28-18-8-3-9-19-28)33-24-12-22-31(37-33)26-14-4-1-5-15-26;1-24(2,3)23-28-15-32(31-23)22-11-7-10-21(30-22)25(4,5)20-9-6-8-19(29-20)17-13-12-16(26)14-18(17)27;1-22(2,19-7-3-5-16(29-19)14-10-9-13(24)11-15(14)25)20-8-4-6-17(30-20)18-12-21(32-31-18)23(26,27)28;1-21(2,17-7-3-5-15(28-17)13-10-9-12(23)11-14(13)24)18-8-4-6-16(29-18)19-30-20(32-31-19)22(25,26)27;1-20(2,18-8-4-6-16(24-18)19(25)26)17-7-3-5-15(23-17)13-10-9-12(21)11-14(13)22;;;;;/h1-14,16-19,21-25H;6-12,14H,1-5H3;3-9,11-12H,1-2H3;3-9,11H,1-2H3;3-9,11H,1-2H3,(H,25,26);;;;;/q4*-2;-1;;4*+2
InChIKeyLXPQAYOAZAECME-UHFFFAOYSA-N
XLogP27.96
TPSA263.78 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003136.58
LogP ≤ 527.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze CID 161361283 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 161361283?
The IUPAC name of CID 161361283 (CID 161361283) is not available.
What is the SMILES notation for CID 161361283?
The canonical SMILES for CID 161361283 is CC(C)(C)c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)n1.CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2nc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.Fc1ccc[c-]c1-c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of CID 161361283?
The InChIKey is LXPQAYOAZAECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23FN2.C25H23F2N5.C23H15F5N4.C22H14F5N5.C20H15F2N2O2.5Pt/c36-30-21-11-10-20-29(30)32-23-13-25-34(38-32)35(27-16-6-2-7-17-27,28-18-8-3-9-19-28)33-24-12-22-31(37-33)26-14-4-1-5-15-26;1-24(2,3)23-28-15-32(31-23)22-11-7-10-21(30-22)25(4,5)20-9-6-8-19(29-20)17-13-12-16(26)14-18(17)27;1-22(2,19-7-3-5-16(29-19)14-10-9-13(24)11-15(14)25)20-8-4-6-17(30-20)18-12-21(32-31-18)23(26,27)28;1-21(2,17-7-3-5-15(28-17)13-10-9-12(23)11-14(13)24)18-8-4-6-16(29-18)19-30-20(32-31-19)22(25,26)27;1-20(2,18-8-4-6-16(24-18)19(25)26)17-7-3-5-15(23-17)13-10-9-12(21)11-14(13)22;;;;;/h1-14,16-19,21-25H;6-12,14H,1-5H3;3-9,11-12H,1-2H3;3-9,11H,1-2H3;3-9,11H,1-2H3,(H,25,26);;;;;/q4*-2;-1;;4*+2.
What are the key properties of CID 161361283?
CID 161361283 has a molecular weight of 3136.58 g/mol, XLogP of 27.96, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161361283 is sourced from PubChem (CID 161361283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).