CID 158472267

C130H116F2N16Pt4Si — CID 158472267

About CID 158472267

CID 158472267 (PubChem CID 158472267) has the molecular formula C130H116F2N16Pt4Si and a molecular weight of 2748.86 g/mol.

Molecular Properties

• Compound Name: CID 158472267
• PubChem CID: 158472267
• Molecular Formula: C130H116F2N16Pt4Si
• Molecular Weight: 2748.86 g/mol
• Exact Mass: 2746.79
• IUPAC Name: —
• SMILES: CC1(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c(n2)[Si](c2ccccc2)(c2ccccc2)c2[c-]c(ccc2)-n2ccc1n2.CC1(C)c2[c-]c(ccc2)-n2ccc(n2)C(C)(C)C(C)(C)c2[c-]c(ccc2)-n2ccc(n2)C1(C)C.CC1(C)c2[c-]c(ccc2)-n2ccc(n2)C(F)(F)c2[c-]c(ccc2)-n2ccc(n2)C1(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C39H30N4Si.C36H30N4.C30H34N4.C25H22F2N4.4Pt/c1-39(2)30-16-12-17-31(26-30)43-28-36(29-14-6-3-7-15-29)38(41-43)44(33-19-8-4-9-20-33,34-21-10-5-11-22-34)35-23-13-18-32(27-35)42-25-24-37(39)40-42;1-35(2)27-17-11-19-29(21-27)40-24-32(26-15-9-6-10-16-26)34(38-40)36(3,4)28-18-12-20-30(22-28)39-23-31(33(35)37-39)25-13-7-5-8-14-25;1-27(2)21-11-9-13-23(19-21)33-18-16-26(32-33)30(7,8)28(3,4)22-12-10-14-24(20-22)34-17-15-25(31-34)29(27,5)6;1-23(2)17-7-5-9-19(15-17)31-14-12-22(29-31)25(26,27)18-8-6-10-20(16-18)30-13-11-21(28-30)24(23,3)4;;;;/h3-25,28H,1-2H3;5-20,23-24H,1-4H3;9-18H,1-8H3;5-14H,1-4H3;;;;/q4*-2;4*+2
• InChIKey: KEYJPPNIEYJGJK-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2748.86
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158472267?

The IUPAC name of CID 158472267 (CID 158472267) is not available.

What is the SMILES notation for CID 158472267?

The canonical SMILES for CID 158472267 is CC1(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c(n2)[Si](c2ccccc2)(c2ccccc2)c2[c-]c(ccc2)-n2ccc1n2.CC1(C)c2[c-]c(ccc2)-n2ccc(n2)C(C)(C)C(C)(C)c2[c-]c(ccc2)-n2ccc(n2)C1(C)C.CC1(C)c2[c-]c(ccc2)-n2ccc(n2)C(F)(F)c2[c-]c(ccc2)-n2ccc(n2)C1(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of CID 158472267?

The InChIKey is KEYJPPNIEYJGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N4Si.C36H30N4.C30H34N4.C25H22F2N4.4Pt/c1-39(2)30-16-12-17-31(26-30)43-28-36(29-14-6-3-7-15-29)38(41-43)44(33-19-8-4-9-20-33,34-21-10-5-11-22-34)35-23-13-18-32(27-35)42-25-24-37(39)40-42;1-35(2)27-17-11-19-29(21-27)40-24-32(26-15-9-6-10-16-26)34(38-40)36(3,4)28-18-12-20-30(22-28)39-23-31(33(35)37-39)25-13-7-5-8-14-25;1-27(2)21-11-9-13-23(19-21)33-18-16-26(32-33)30(7,8)28(3,4)22-12-10-14-24(20-22)34-17-15-25(31-34)29(27,5)6;1-23(2)17-7-5-9-19(15-17)31-14-12-22(29-31)25(26,27)18-8-6-10-20(16-18)30-13-11-21(28-30)24(23,3)4;;;;/h3-25,28H,1-2H3;5-20,23-24H,1-4H3;9-18H,1-8H3;5-14H,1-4H3;;;;/q4*-2;4*+2.

What are the key properties of CID 158472267?

CID 158472267 has a molecular weight of 2748.86 g/mol, XLogP of 25.14, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158472267 is sourced from PubChem (CID 158472267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).