CID 23659154

C30H45N2ScSi+ — CID 23659154

IUPAC—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)C)[C]1C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Sc+3]
InChIInChI=1S/C12H21Si.2C9H12N.Sc/c1-8-9(2)11(4)12(10(8)3)13(5,6)7;2*1-8-6-4-5-7-9(8)10(2)3;/h1-7H3;2*4-7H,1H2,2-3H3;/q;2*-1;+3
InChIKeyWGFHFAVNLHDHOD-UHFFFAOYSA-N
MW506.75 g/mol
LogP7.70
Rot. Bonds3

About CID 23659154

CID 23659154 (PubChem CID 23659154) has the molecular formula C30H45N2ScSi+ and a molecular weight of 506.75 g/mol.

Molecular Properties

Compound NameCID 23659154
PubChem CID23659154
Molecular FormulaC30H45N2ScSi+
Molecular Weight506.75 g/mol
Exact Mass506.29
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)C)[C]1C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Sc+3]
InChIInChI=1S/C12H21Si.2C9H12N.Sc/c1-8-9(2)11(4)12(10(8)3)13(5,6)7;2*1-8-6-4-5-7-9(8)10(2)3;/h1-7H3;2*4-7H,1H2,2-3H3;/q;2*-1;+3
InChIKeyWGFHFAVNLHDHOD-UHFFFAOYSA-N
XLogP7.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.75
LogP ≤ 57.70
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 23659154?
The IUPAC name of CID 23659154 (CID 23659154) is not available.
What is the SMILES notation for CID 23659154?
The canonical SMILES for CID 23659154 is C[C]1[C](C)[C](C)[C]([Si](C)(C)C)[C]1C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Sc+3].
What is the InChIKey of CID 23659154?
The InChIKey is WGFHFAVNLHDHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Si.2C9H12N.Sc/c1-8-9(2)11(4)12(10(8)3)13(5,6)7;2*1-8-6-4-5-7-9(8)10(2)3;/h1-7H3;2*4-7H,1H2,2-3H3;/q;2*-1;+3.
What are the key properties of CID 23659154?
CID 23659154 has a molecular weight of 506.75 g/mol, XLogP of 7.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23659154 is sourced from PubChem (CID 23659154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).