CID 157346358

C128H128F6N32Pt6Si5 — CID 157346358

IUPAC—
SMILESC.C.C.C.CC(C)(C)c1n[c-]n(-c2cccc([Si](C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.C[Si](C)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.C[Si](C)(c1[c-]c(-n2cncn2)ccc1)c1[c-]c(-n2cncn2)ccc1.C[Si](C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.C[Si](C)(c1cccc(-c2ccn[n-]2)n1)c1cccc(-c2ccn[n-]2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(CCc2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C24H30N8Si.C24H18N2.C20H14F6N6Si.C20H18N4Si.2C18H16N6Si.4CH4.6Pt/c1-23(2,3)21-25-15-31(29-21)17-11-9-13-19(27-17)33(7,8)20-14-10-12-18(28-20)32-16-26-22(30-32)24(4,5)6;1-3-9-19(10-4-1)23-15-7-13-21(25-23)17-18-22-14-8-16-24(26-22)20-11-5-2-6-12-20;1-33(2,17-7-3-5-11(27-17)13-9-15(31-29-13)19(21,22)23)18-8-4-6-12(28-18)14-10-16(32-30-14)20(24,25)26;1-25(2,19-9-3-7-17(15-19)23-13-5-11-21-23)20-10-4-8-18(16-20)24-14-6-12-22-24;1-25(2,17-7-3-5-15(9-17)23-13-19-11-21-23)18-8-4-6-16(10-18)24-14-20-12-22-24;1-25(2,17-7-3-5-13(21-17)15-9-11-19-23-15)18-8-4-6-14(22-18)16-10-12-20-24-16;;;;;;;;;;/h9-14H,1-8H3;1-9,11,13-16H,17-18H2;3-10H,1-2H3;3-14H,1-2H3;3-8,11-14H,1-2H3;3-12H,1-2H3;4*1H4;;;;;;/q6*-2;;;;;6*+2
InChIKeyISNRWGQNJREVTC-UHFFFAOYSA-N
MW3539.54 g/mol
LogP18.85
Rot. Bonds25

About CID 157346358

CID 157346358 (PubChem CID 157346358) has the molecular formula C128H128F6N32Pt6Si5 and a molecular weight of 3539.54 g/mol.

Molecular Properties

Compound NameCID 157346358
PubChem CID157346358
Molecular FormulaC128H128F6N32Pt6Si5
Molecular Weight3539.54 g/mol
Exact Mass3536.76
IUPAC Name—
SMILESC.C.C.C.CC(C)(C)c1n[c-]n(-c2cccc([Si](C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.C[Si](C)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.C[Si](C)(c1[c-]c(-n2cncn2)ccc1)c1[c-]c(-n2cncn2)ccc1.C[Si](C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.C[Si](C)(c1cccc(-c2ccn[n-]2)n1)c1cccc(-c2ccn[n-]2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(CCc2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C24H30N8Si.C24H18N2.C20H14F6N6Si.C20H18N4Si.2C18H16N6Si.4CH4.6Pt/c1-23(2,3)21-25-15-31(29-21)17-11-9-13-19(27-17)33(7,8)20-14-10-12-18(28-20)32-16-26-22(30-32)24(4,5)6;1-3-9-19(10-4-1)23-15-7-13-21(25-23)17-18-22-14-8-16-24(26-22)20-11-5-2-6-12-20;1-33(2,17-7-3-5-11(27-17)13-9-15(31-29-13)19(21,22)23)18-8-4-6-12(28-18)14-10-16(32-30-14)20(24,25)26;1-25(2,19-9-3-7-17(15-19)23-13-5-11-21-23)20-10-4-8-18(16-20)24-14-6-12-22-24;1-25(2,17-7-3-5-15(9-17)23-13-19-11-21-23)18-8-4-6-16(10-18)24-14-20-12-22-24;1-25(2,17-7-3-5-13(21-17)15-9-11-19-23-15)18-8-4-6-14(22-18)16-10-12-20-24-16;;;;;;;;;;/h9-14H,1-8H3;1-9,11,13-16H,17-18H2;3-10H,1-2H3;3-14H,1-2H3;3-8,11-14H,1-2H3;3-12H,1-2H3;4*1H4;;;;;;/q6*-2;;;;;6*+2
InChIKeyISNRWGQNJREVTC-UHFFFAOYSA-N
XLogP18.85
TPSA369.56 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003539.54
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157346358?
The IUPAC name of CID 157346358 (CID 157346358) is not available.
What is the SMILES notation for CID 157346358?
The canonical SMILES for CID 157346358 is C.C.C.C.CC(C)(C)c1n[c-]n(-c2cccc([Si](C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.C[Si](C)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.C[Si](C)(c1[c-]c(-n2cncn2)ccc1)c1[c-]c(-n2cncn2)ccc1.C[Si](C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.C[Si](C)(c1cccc(-c2ccn[n-]2)n1)c1cccc(-c2ccn[n-]2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(CCc2cccc(-c3[c-]cccc3)n2)n1.
What is the InChIKey of CID 157346358?
The InChIKey is ISNRWGQNJREVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8Si.C24H18N2.C20H14F6N6Si.C20H18N4Si.2C18H16N6Si.4CH4.6Pt/c1-23(2,3)21-25-15-31(29-21)17-11-9-13-19(27-17)33(7,8)20-14-10-12-18(28-20)32-16-26-22(30-32)24(4,5)6;1-3-9-19(10-4-1)23-15-7-13-21(25-23)17-18-22-14-8-16-24(26-22)20-11-5-2-6-12-20;1-33(2,17-7-3-5-11(27-17)13-9-15(31-29-13)19(21,22)23)18-8-4-6-12(28-18)14-10-16(32-30-14)20(24,25)26;1-25(2,19-9-3-7-17(15-19)23-13-5-11-21-23)20-10-4-8-18(16-20)24-14-6-12-22-24;1-25(2,17-7-3-5-15(9-17)23-13-19-11-21-23)18-8-4-6-16(10-18)24-14-20-12-22-24;1-25(2,17-7-3-5-13(21-17)15-9-11-19-23-15)18-8-4-6-14(22-18)16-10-12-20-24-16;;;;;;;;;;/h9-14H,1-8H3;1-9,11,13-16H,17-18H2;3-10H,1-2H3;3-14H,1-2H3;3-8,11-14H,1-2H3;3-12H,1-2H3;4*1H4;;;;;;/q6*-2;;;;;6*+2.
What are the key properties of CID 157346358?
CID 157346358 has a molecular weight of 3539.54 g/mol, XLogP of 18.85, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157346358 is sourced from PubChem (CID 157346358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).