CID 165050410

C133H157Si2 — CID 165050410

About CID 165050410

CID 165050410 (PubChem CID 165050410) has the molecular formula C133H157Si2 and a molecular weight of 1820.95 g/mol.

Molecular Properties

• Compound Name: CID 165050410
• PubChem CID: 165050410
• Molecular Formula: C133H157Si2
• Molecular Weight: 1820.95 g/mol
• Exact Mass: 1819.24
• IUPAC Name: —
• SMILES: CC(C)(C)c1c(-c2ccccc2)cccc1-c1ccccc1.CC(C)(C)c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c(C)c([2H])c3[2H])c2C(C)(C)C)c([2H])c1[2H].c1ccc([Si](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H28Si.C23H24.C22H22.C18H15Si.C14H22.2C12H18.C4H10/c1-28(2,3)23-14-13-21-27(22-23)29(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26;1-17-13-15-19(16-14-17)21-12-8-11-20(22(21)23(2,3)4)18-9-6-5-7-10-18;1-22(2,3)21-19(17-11-6-4-7-12-17)15-10-16-20(21)18-13-8-5-9-14-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;2*1-9-7-6-8-10(2)11(9)12(3,4)5;1-4(2)3/h4-22H,1-3H3;5-16H,1-4H3;4-16H,1-3H3;1-15H;7-10H,1-6H3;2*6-8H,1-5H3;4H,1-3H3/i;5D,6D,7D,9D,10D,13D,14D,15D,16D
• InChIKey: HVKSDQYPMGSJSE-UJTXQCLOSA-N
• XLogP: 32.65
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1820.95
LogP ≤ 5	32.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 165050410?

The IUPAC name of CID 165050410 (CID 165050410) is not available.

What is the SMILES notation for CID 165050410?

The canonical SMILES for CID 165050410 is CC(C)(C)c1c(-c2ccccc2)cccc1-c1ccccc1.CC(C)(C)c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c(C)c([2H])c3[2H])c2C(C)(C)C)c([2H])c1[2H].c1ccc([Si](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of CID 165050410?

The InChIKey is HVKSDQYPMGSJSE-UJTXQCLOSA-N. The full InChI is InChI=1S/C28H28Si.C23H24.C22H22.C18H15Si.C14H22.2C12H18.C4H10/c1-28(2,3)23-14-13-21-27(22-23)29(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26;1-17-13-15-19(16-14-17)21-12-8-11-20(22(21)23(2,3)4)18-9-6-5-7-10-18;1-22(2,3)21-19(17-11-6-4-7-12-17)15-10-16-20(21)18-13-8-5-9-14-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;2*1-9-7-6-8-10(2)11(9)12(3,4)5;1-4(2)3/h4-22H,1-3H3;5-16H,1-4H3;4-16H,1-3H3;1-15H;7-10H,1-6H3;2*6-8H,1-5H3;4H,1-3H3/i;5D,6D,7D,9D,10D,13D,14D,15D,16D;;;;;;.

What are the key properties of CID 165050410?

CID 165050410 has a molecular weight of 1820.95 g/mol, XLogP of 32.65, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for CID 165050410 is sourced from PubChem (CID 165050410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).