CID 157348793

C117H89F14N24O2Pt5- — CID 157348793

IUPAC—
SMILESCC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C#N)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C26H31N7.C24H14F5N5.C23H15F5N4.C23H15F2N5.C21H14F2N3O2.5Pt/c1-24(2,3)18-15-16-32(30-18)21-13-9-11-19(28-21)26(7,8)20-12-10-14-22(29-20)33-17-27-23(31-33)25(4,5)6;1-23(2,18-8-5-9-20(32-18)34-13-12-19(33-34)24(27,28)29)17-7-4-6-16(31-17)14-10-11-15(25)22(30-3)21(14)26;1-22(2,18-6-3-5-17(29-18)15-10-9-14(24)13-16(15)25)19-7-4-8-21(30-19)32-12-11-20(31-32)23(26,27)28;1-23(2,21-7-4-8-22(28-21)30-12-11-16(14-26)29-30)20-6-3-5-19(27-20)17-10-9-15(24)13-18(17)25;1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;;;;;/h9-15H,1-8H3;4-9,11-12H,1-2H3;3-9,11,13H,1-2H3;3-9,11,13H,1-2H3;4-9,11H,1-2H3,(H,27,28);;;;;/q4*-2;-1;;4*+2
InChIKeyYBOAMHYZEXPZLP-UHFFFAOYSA-N
MW3104.53 g/mol
LogP25.61
Rot. Bonds20

About CID 157348793

CID 157348793 (PubChem CID 157348793) has the molecular formula C117H89F14N24O2Pt5- and a molecular weight of 3104.53 g/mol.

Molecular Properties

Compound NameCID 157348793
PubChem CID157348793
Molecular FormulaC117H89F14N24O2Pt5-
Molecular Weight3104.53 g/mol
Exact Mass3102.56
IUPAC Name—
SMILESCC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C#N)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C26H31N7.C24H14F5N5.C23H15F5N4.C23H15F2N5.C21H14F2N3O2.5Pt/c1-24(2,3)18-15-16-32(30-18)21-13-9-11-19(28-21)26(7,8)20-12-10-14-22(29-20)33-17-27-23(31-33)25(4,5)6;1-23(2,18-8-5-9-20(32-18)34-13-12-19(33-34)24(27,28)29)17-7-4-6-16(31-17)14-10-11-15(25)22(30-3)21(14)26;1-22(2,18-6-3-5-17(29-18)15-10-9-14(24)13-16(15)25)19-7-4-8-21(30-19)32-12-11-20(31-32)23(26,27)28;1-23(2,21-7-4-8-22(28-21)30-12-11-16(14-26)29-30)20-6-3-5-19(27-20)17-10-9-15(24)13-18(17)25;1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;;;;;/h9-15H,1-8H3;4-9,11-12H,1-2H3;3-9,11,13H,1-2H3;3-9,11,13H,1-2H3;4-9,11H,1-2H3,(H,27,28);;;;;/q4*-2;-1;;4*+2
InChIKeyYBOAMHYZEXPZLP-UHFFFAOYSA-N
XLogP25.61
TPSA300.70 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003104.53
LogP ≤ 525.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

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 157348793?
The IUPAC name of CID 157348793 (CID 157348793) is not available.
What is the SMILES notation for CID 157348793?
The canonical SMILES for CID 157348793 is CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C#N)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of CID 157348793?
The InChIKey is YBOAMHYZEXPZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7.C24H14F5N5.C23H15F5N4.C23H15F2N5.C21H14F2N3O2.5Pt/c1-24(2,3)18-15-16-32(30-18)21-13-9-11-19(28-21)26(7,8)20-12-10-14-22(29-20)33-17-27-23(31-33)25(4,5)6;1-23(2,18-8-5-9-20(32-18)34-13-12-19(33-34)24(27,28)29)17-7-4-6-16(31-17)14-10-11-15(25)22(30-3)21(14)26;1-22(2,18-6-3-5-17(29-18)15-10-9-14(24)13-16(15)25)19-7-4-8-21(30-19)32-12-11-20(31-32)23(26,27)28;1-23(2,21-7-4-8-22(28-21)30-12-11-16(14-26)29-30)20-6-3-5-19(27-20)17-10-9-15(24)13-18(17)25;1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;;;;;/h9-15H,1-8H3;4-9,11-12H,1-2H3;3-9,11,13H,1-2H3;3-9,11,13H,1-2H3;4-9,11H,1-2H3,(H,27,28);;;;;/q4*-2;-1;;4*+2.
What are the key properties of CID 157348793?
CID 157348793 has a molecular weight of 3104.53 g/mol, XLogP of 25.61, 20 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157348793 is sourced from PubChem (CID 157348793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).