CID 162076307

C126H84F12N10OPt5 — CID 162076307

IUPAC—
SMILESCC(C)(c1[c-]cccc1)c1cccc(-c2[c-]c(-c3ccccn3)c(F)cc2F)n1.CC(C)(c1ccc2c(n1)-c1[c-]c3c(cc1C2(C)C)C(C)(C)c1cccnc1-3)c1[c-]cc(F)cc1F.Fc1cc(F)c(-c2cccc(CCc3[c-]cccc3)n2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2cccc(Cc3[c-]cccc3)n2)[c-]c1-c1ccccn1.O=C(c1cccc(-c2[c-]c(-c3ccccn3)c(F)cc2F)n1)c1[c-]cc(F)cc1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C31H26F2N2.C25H18F2N2.C24H16F2N2.C23H10F4N2O.C23H14F2N2.5Pt/c1-29(2)21-8-7-13-34-27(21)18-15-19-24(16-23(18)29)30(3,4)22-11-12-26(35-28(19)22)31(5,6)20-10-9-17(32)14-25(20)33;1-25(2,17-9-4-3-5-10-17)24-13-8-12-23(29-24)19-15-18(20(26)16-21(19)27)22-11-6-7-14-28-22;25-21-16-22(26)20(15-19(21)23-10-4-5-14-27-23)24-11-6-9-18(28-24)13-12-17-7-2-1-3-8-17;24-13-7-8-14(17(25)10-13)23(30)22-6-3-5-21(29-22)16-11-15(18(26)12-19(16)27)20-4-1-2-9-28-20;24-20-15-21(25)19(14-18(20)22-10-4-5-12-26-22)23-11-6-9-17(27-23)13-16-7-2-1-3-8-16;;;;;/h7-9,11-14,16H,1-6H3;3-9,11-14,16H,1-2H3;1-7,9-11,14,16H,12-13H2;1-7,9-10,12H;1-7,9-12,15H,13H2;;;;;/q5*-2;5*+2
InChIKeyRGTYWSCSIAMOMJ-UHFFFAOYSA-N
MW2957.49 g/mol
LogP29.25
Rot. Bonds19

About CID 162076307

CID 162076307 (PubChem CID 162076307) has the molecular formula C126H84F12N10OPt5 and a molecular weight of 2957.49 g/mol.

Molecular Properties

Compound NameCID 162076307
PubChem CID162076307
Molecular FormulaC126H84F12N10OPt5
Molecular Weight2957.49 g/mol
Exact Mass2955.49
IUPAC Name—
SMILESCC(C)(c1[c-]cccc1)c1cccc(-c2[c-]c(-c3ccccn3)c(F)cc2F)n1.CC(C)(c1ccc2c(n1)-c1[c-]c3c(cc1C2(C)C)C(C)(C)c1cccnc1-3)c1[c-]cc(F)cc1F.Fc1cc(F)c(-c2cccc(CCc3[c-]cccc3)n2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2cccc(Cc3[c-]cccc3)n2)[c-]c1-c1ccccn1.O=C(c1cccc(-c2[c-]c(-c3ccccn3)c(F)cc2F)n1)c1[c-]cc(F)cc1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C31H26F2N2.C25H18F2N2.C24H16F2N2.C23H10F4N2O.C23H14F2N2.5Pt/c1-29(2)21-8-7-13-34-27(21)18-15-19-24(16-23(18)29)30(3,4)22-11-12-26(35-28(19)22)31(5,6)20-10-9-17(32)14-25(20)33;1-25(2,17-9-4-3-5-10-17)24-13-8-12-23(29-24)19-15-18(20(26)16-21(19)27)22-11-6-7-14-28-22;25-21-16-22(26)20(15-19(21)23-10-4-5-14-27-23)24-11-6-9-18(28-24)13-12-17-7-2-1-3-8-17;24-13-7-8-14(17(25)10-13)23(30)22-6-3-5-21(29-22)16-11-15(18(26)12-19(16)27)20-4-1-2-9-28-20;24-20-15-21(25)19(14-18(20)22-10-4-5-12-26-22)23-11-6-9-17(27-23)13-16-7-2-1-3-8-16;;;;;/h7-9,11-14,16H,1-6H3;3-9,11-14,16H,1-2H3;1-7,9-11,14,16H,12-13H2;1-7,9-10,12H;1-7,9-12,15H,13H2;;;;;/q5*-2;5*+2
InChIKeyRGTYWSCSIAMOMJ-UHFFFAOYSA-N
XLogP29.25
TPSA145.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002957.49
LogP ≤ 529.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162076307?
The IUPAC name of CID 162076307 (CID 162076307) is not available.
What is the SMILES notation for CID 162076307?
The canonical SMILES for CID 162076307 is CC(C)(c1[c-]cccc1)c1cccc(-c2[c-]c(-c3ccccn3)c(F)cc2F)n1.CC(C)(c1ccc2c(n1)-c1[c-]c3c(cc1C2(C)C)C(C)(C)c1cccnc1-3)c1[c-]cc(F)cc1F.Fc1cc(F)c(-c2cccc(CCc3[c-]cccc3)n2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2cccc(Cc3[c-]cccc3)n2)[c-]c1-c1ccccn1.O=C(c1cccc(-c2[c-]c(-c3ccccn3)c(F)cc2F)n1)c1[c-]cc(F)cc1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 162076307?
The InChIKey is RGTYWSCSIAMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N2.C25H18F2N2.C24H16F2N2.C23H10F4N2O.C23H14F2N2.5Pt/c1-29(2)21-8-7-13-34-27(21)18-15-19-24(16-23(18)29)30(3,4)22-11-12-26(35-28(19)22)31(5,6)20-10-9-17(32)14-25(20)33;1-25(2,17-9-4-3-5-10-17)24-13-8-12-23(29-24)19-15-18(20(26)16-21(19)27)22-11-6-7-14-28-22;25-21-16-22(26)20(15-19(21)23-10-4-5-14-27-23)24-11-6-9-18(28-24)13-12-17-7-2-1-3-8-17;24-13-7-8-14(17(25)10-13)23(30)22-6-3-5-21(29-22)16-11-15(18(26)12-19(16)27)20-4-1-2-9-28-20;24-20-15-21(25)19(14-18(20)22-10-4-5-12-26-22)23-11-6-9-17(27-23)13-16-7-2-1-3-8-16;;;;;/h7-9,11-14,16H,1-6H3;3-9,11-14,16H,1-2H3;1-7,9-11,14,16H,12-13H2;1-7,9-10,12H;1-7,9-12,15H,13H2;;;;;/q5*-2;5*+2.
What are the key properties of CID 162076307?
CID 162076307 has a molecular weight of 2957.49 g/mol, XLogP of 29.25, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162076307 is sourced from PubChem (CID 162076307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).