CID 71134231

C19H23BrN4OSi — CID 71134231

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1cccc(-c2cc(Br)c3c(N)ncnn23)c1
InChIInChI=1S/C19H23BrN4OSi/c1-18(2,3)26-25-19(4,5)13-8-6-7-12(9-13)15-10-14(20)16-17(21)22-11-23-24(15)16/h6-11H,1-5H3,(H2,21,22,23)
InChIKeyZJJCBVDVNQHNCF-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.83
Rot. Bonds4

About CID 71134231

CID 71134231 (PubChem CID 71134231) has the molecular formula C19H23BrN4OSi and a molecular weight of 431.41 g/mol.

Molecular Properties

Compound NameCID 71134231
PubChem CID71134231
Molecular FormulaC19H23BrN4OSi
Molecular Weight431.41 g/mol
Exact Mass430.08
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1cccc(-c2cc(Br)c3c(N)ncnn23)c1
InChIInChI=1S/C19H23BrN4OSi/c1-18(2,3)26-25-19(4,5)13-8-6-7-12(9-13)15-10-14(20)16-17(21)22-11-23-24(15)16/h6-11H,1-5H3,(H2,21,22,23)
InChIKeyZJJCBVDVNQHNCF-UHFFFAOYSA-N
XLogP4.83
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 71134231?
The IUPAC name of CID 71134231 (CID 71134231) is not available.
What is the SMILES notation for CID 71134231?
The canonical SMILES for CID 71134231 is CC(C)(C)[Si]OC(C)(C)c1cccc(-c2cc(Br)c3c(N)ncnn23)c1.
What is the InChIKey of CID 71134231?
The InChIKey is ZJJCBVDVNQHNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4OSi/c1-18(2,3)26-25-19(4,5)13-8-6-7-12(9-13)15-10-14(20)16-17(21)22-11-23-24(15)16/h6-11H,1-5H3,(H2,21,22,23).
What are the key properties of CID 71134231?
CID 71134231 has a molecular weight of 431.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71134231 is sourced from PubChem (CID 71134231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).