CID 134978777

C33H64BGeS2Si6 — CID 134978777

IUPAC—
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B2S[Ge](c3ccccc3)S2)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C33H64BGeS2Si6/c1-38(2,3)31(39(4,5)6)26-24-28(32(40(7,8)9)41(10,11)12)30(29(25-26)33(42(13,14)15)43(16,17)18)34-36-35(37-34)27-22-20-19-21-23-27/h19-25,31-33H,1-18H3
InChIKeyGQXOROWGBWMEFC-UHFFFAOYSA-N
MW776.95 g/mol
LogP10.77
Rot. Bonds11

About CID 134978777

CID 134978777 (PubChem CID 134978777) has the molecular formula C33H64BGeS2Si6 and a molecular weight of 776.95 g/mol.

Molecular Properties

Compound NameCID 134978777
PubChem CID134978777
Molecular FormulaC33H64BGeS2Si6
Molecular Weight776.95 g/mol
Exact Mass777.24
IUPAC Name—
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B2S[Ge](c3ccccc3)S2)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C33H64BGeS2Si6/c1-38(2,3)31(39(4,5)6)26-24-28(32(40(7,8)9)41(10,11)12)30(29(25-26)33(42(13,14)15)43(16,17)18)34-36-35(37-34)27-22-20-19-21-23-27/h19-25,31-33H,1-18H3
InChIKeyGQXOROWGBWMEFC-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.95
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 134978777 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 134978777?
The IUPAC name of CID 134978777 (CID 134978777) is not available.
What is the SMILES notation for CID 134978777?
The canonical SMILES for CID 134978777 is C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B2S[Ge](c3ccccc3)S2)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of CID 134978777?
The InChIKey is GQXOROWGBWMEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64BGeS2Si6/c1-38(2,3)31(39(4,5)6)26-24-28(32(40(7,8)9)41(10,11)12)30(29(25-26)33(42(13,14)15)43(16,17)18)34-36-35(37-34)27-22-20-19-21-23-27/h19-25,31-33H,1-18H3.
What are the key properties of CID 134978777?
CID 134978777 has a molecular weight of 776.95 g/mol, XLogP of 10.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134978777 is sourced from PubChem (CID 134978777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).