3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane

C20H29NSi — CID 101180307

IUPAC3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc2c3c(cccc31)C=CC2
InChIInChI=1S/C20H29NSi/c1-14(2)22(15(3)4,16(5)6)21-13-18-11-7-9-17-10-8-12-19(21)20(17)18/h7-10,12-16H,11H2,1-6H3
InChIKeyYNFSOCCNYLYUSW-UHFFFAOYSA-N
MW311.54 g/mol
LogP6.23
Rot. Bonds4

About 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane

3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane (PubChem CID 101180307) has the molecular formula C20H29NSi and a molecular weight of 311.54 g/mol. Its IUPAC name is 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane
PubChem CID101180307
Molecular FormulaC20H29NSi
Molecular Weight311.54 g/mol
Exact Mass311.21
IUPAC Name3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc2c3c(cccc31)C=CC2
InChIInChI=1S/C20H29NSi/c1-14(2)22(15(3)4,16(5)6)21-13-18-11-7-9-17-10-8-12-19(21)20(17)18/h7-10,12-16H,11H2,1-6H3
InChIKeyYNFSOCCNYLYUSW-UHFFFAOYSA-N
XLogP6.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.54
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3H-benzo[cd]indol-1-yl-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

Frequently Asked Questions

What is the IUPAC name of 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane?
The IUPAC name of 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane (CID 101180307) is 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane.
What is the SMILES notation for 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane?
The canonical SMILES for 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc2c3c(cccc31)C=CC2.
What is the InChIKey of 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane?
The InChIKey is YNFSOCCNYLYUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NSi/c1-14(2)22(15(3)4,16(5)6)21-13-18-11-7-9-17-10-8-12-19(21)20(17)18/h7-10,12-16H,11H2,1-6H3.
What are the key properties of 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane?
3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane has a molecular weight of 311.54 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane is sourced from PubChem (CID 101180307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).