2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane

C24H29NSi — CID 169268052

IUPAC2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc2c(c1)ncc1ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C24H29NSi/c1-17(2)26(18(3)4,19(5)6)14-13-20-11-12-23-22-10-8-7-9-21(22)16-25-24(23)15-20/h7-12,15-19H,1-6H3
InChIKeyKAPOUAJZKYDIHE-UHFFFAOYSA-N
MW359.59 g/mol
LogP6.96
Rot. Bonds3

About 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane

2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane (PubChem CID 169268052) has the molecular formula C24H29NSi and a molecular weight of 359.59 g/mol. Its IUPAC name is 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane
PubChem CID169268052
Molecular FormulaC24H29NSi
Molecular Weight359.59 g/mol
Exact Mass359.21
IUPAC Name2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc2c(c1)ncc1ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C24H29NSi/c1-17(2)26(18(3)4,19(5)6)14-13-20-11-12-23-22-10-8-7-9-21(22)16-25-24(23)15-20/h7-12,15-19H,1-6H3
InChIKeyKAPOUAJZKYDIHE-UHFFFAOYSA-N
XLogP6.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.59
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane (CID 169268052) is 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1ccc2c(c1)ncc1ccccc12)(C(C)C)C(C)C.
What is the InChIKey of 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane?
The InChIKey is KAPOUAJZKYDIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NSi/c1-17(2)26(18(3)4,19(5)6)14-13-20-11-12-23-22-10-8-7-9-21(22)16-25-24(23)15-20/h7-12,15-19H,1-6H3.
What are the key properties of 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane?
2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane has a molecular weight of 359.59 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 169268052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).