phenanthridin-6-ylmethyl-tri(propan-2-yl)silane

C23H31NSi — CID 122224420

IUPACphenanthridin-6-ylmethyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](Cc1nc2ccccc2c2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C23H31NSi/c1-16(2)25(17(3)4,18(5)6)15-23-21-13-8-7-11-19(21)20-12-9-10-14-22(20)24-23/h7-14,16-18H,15H2,1-6H3
InChIKeyLVBPNFAQYPZEHX-UHFFFAOYSA-N
MW349.59 g/mol
LogP7.15
Rot. Bonds5

About phenanthridin-6-ylmethyl-tri(propan-2-yl)silane

phenanthridin-6-ylmethyl-tri(propan-2-yl)silane (PubChem CID 122224420) has the molecular formula C23H31NSi and a molecular weight of 349.59 g/mol. Its IUPAC name is phenanthridin-6-ylmethyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Namephenanthridin-6-ylmethyl-tri(propan-2-yl)silane
PubChem CID122224420
Molecular FormulaC23H31NSi
Molecular Weight349.59 g/mol
Exact Mass349.22
IUPAC Namephenanthridin-6-ylmethyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](Cc1nc2ccccc2c2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C23H31NSi/c1-16(2)25(17(3)4,18(5)6)15-23-21-13-8-7-11-19(21)20-12-9-10-14-22(20)24-23/h7-14,16-18H,15H2,1-6H3
InChIKeyLVBPNFAQYPZEHX-UHFFFAOYSA-N
XLogP7.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 57.15
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'}

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Related Compounds

phenanthridin-6-ylmethylhydrazine
CID 16774020
phenanthridin-6-ylmethanesulfinate
CID 174989846
6-(1-phenylethyl)phenanthridine
CID 154722213
22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 129303440
6-propan-2-yloxyphenanthridine
CID 71037197
9-(1-acridin-9-ylethyl)acridine
CID 118649577
1-(4-methylphenyl)-2-phenanthridin-6-ylethanone
CID 11616575
2-ethyl-4-propan-2-ylquinoline
CID 144871804
3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline
CID 54583213
1-(tert-butylamino)-3-phenanthridin-6-ylpropan-2-one
CID 125487640
benzyl N-[(2S)-3-oxo-4-phenanthridin-6-ylbutan-2-yl]carbamate
CID 162397977
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257

Frequently Asked Questions

What is the IUPAC name of phenanthridin-6-ylmethyl-tri(propan-2-yl)silane?
The IUPAC name of phenanthridin-6-ylmethyl-tri(propan-2-yl)silane (CID 122224420) is phenanthridin-6-ylmethyl-tri(propan-2-yl)silane.
What is the SMILES notation for phenanthridin-6-ylmethyl-tri(propan-2-yl)silane?
The canonical SMILES for phenanthridin-6-ylmethyl-tri(propan-2-yl)silane is CC(C)[Si](Cc1nc2ccccc2c2ccccc12)(C(C)C)C(C)C.
What is the InChIKey of phenanthridin-6-ylmethyl-tri(propan-2-yl)silane?
The InChIKey is LVBPNFAQYPZEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NSi/c1-16(2)25(17(3)4,18(5)6)15-23-21-13-8-7-11-19(21)20-12-9-10-14-22(20)24-23/h7-14,16-18H,15H2,1-6H3.
What are the key properties of phenanthridin-6-ylmethyl-tri(propan-2-yl)silane?
phenanthridin-6-ylmethyl-tri(propan-2-yl)silane has a molecular weight of 349.59 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthridin-6-ylmethyl-tri(propan-2-yl)silane is sourced from PubChem (CID 122224420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).