CID 135046786

C51H71O2Si5Y- — CID 135046786

IUPAC—
SMILESCC(C)(C)[C]1[CH][C]([Si](C)(C)C)[C]([Si]2([C]3[CH][C](C(C)(C)C)[CH][C]3[Si](C)(C)C)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)[CH]1.C[Si](C)(C)[CH-][Si](C)(C)C.[Y]
InChIInChI=1S/C44H52O2Si3.C7H19Si2.Y/c1-43(2,3)31-25-37(47(7,8)9)39(27-31)49(40-28-32(44(4,5)6)26-38(40)48(10,11)12)45-35-23-21-29-17-13-15-19-33(29)41(35)42-34-20-16-14-18-30(34)22-24-36(42)46-49;1-8(2,3)7-9(4,5)6;/h13-28H,1-12H3;7H,1-6H3;/q;-1;
InChIKeyDLRMXGHVCYSVSJ-UHFFFAOYSA-N
MW945.46 g/mol
LogP15.03
Rot. Bonds6

About CID 135046786

CID 135046786 (PubChem CID 135046786) has the molecular formula C51H71O2Si5Y- and a molecular weight of 945.46 g/mol.

Molecular Properties

Compound NameCID 135046786
PubChem CID135046786
Molecular FormulaC51H71O2Si5Y-
Molecular Weight945.46 g/mol
Exact Mass944.34
IUPAC Name—
SMILESCC(C)(C)[C]1[CH][C]([Si](C)(C)C)[C]([Si]2([C]3[CH][C](C(C)(C)C)[CH][C]3[Si](C)(C)C)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)[CH]1.C[Si](C)(C)[CH-][Si](C)(C)C.[Y]
InChIInChI=1S/C44H52O2Si3.C7H19Si2.Y/c1-43(2,3)31-25-37(47(7,8)9)39(27-31)49(40-28-32(44(4,5)6)26-38(40)48(10,11)12)45-35-23-21-29-17-13-15-19-33(29)41(35)42-34-20-16-14-18-30(34)22-24-36(42)46-49;1-8(2,3)7-9(4,5)6;/h13-28H,1-12H3;7H,1-6H3;/q;-1;
InChIKeyDLRMXGHVCYSVSJ-UHFFFAOYSA-N
XLogP15.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.46
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 135046786 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 135046786?
The IUPAC name of CID 135046786 (CID 135046786) is not available.
What is the SMILES notation for CID 135046786?
The canonical SMILES for CID 135046786 is CC(C)(C)[C]1[CH][C]([Si](C)(C)C)[C]([Si]2([C]3[CH][C](C(C)(C)C)[CH][C]3[Si](C)(C)C)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)[CH]1.C[Si](C)(C)[CH-][Si](C)(C)C.[Y].
What is the InChIKey of CID 135046786?
The InChIKey is DLRMXGHVCYSVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52O2Si3.C7H19Si2.Y/c1-43(2,3)31-25-37(47(7,8)9)39(27-31)49(40-28-32(44(4,5)6)26-38(40)48(10,11)12)45-35-23-21-29-17-13-15-19-33(29)41(35)42-34-20-16-14-18-30(34)22-24-36(42)46-49;1-8(2,3)7-9(4,5)6;/h13-28H,1-12H3;7H,1-6H3;/q;-1;.
What are the key properties of CID 135046786?
CID 135046786 has a molecular weight of 945.46 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046786 is sourced from PubChem (CID 135046786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).