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'}

Analyze 2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane with MolForge

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

Launch Full Analysis

Related Compounds

tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane
CID 58362242
tri(propan-2-yl)-[2-[20-[2-tri(propan-2-yl)silylethynyl]-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl]ethynyl]silane
CID 58410794
tri(propan-2-yl)-[2-[4-[2-[4-[2-[3-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 102510770
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473
phenanthridine
CID 9189
2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-tri(propan-2-yl)silane
CID 177420389
3-(4-iodophenyl)phenanthridine
CID 144968877
phenanthridine;platinum(2+)
CID 23616726
2-pentacen-6-ylethynyl-tri(propan-2-yl)silane
CID 141495098
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552
2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane
CID 89117238
tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane
CID 24809074

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).