tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane

C32H33NOSi — CID 15678070

IUPACtert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane
SMILESCC(C)(C)[Si](OCC#Cc1ccc2ncc3c(c2c1)CCCC3)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33NOSi/c1-32(2,3)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)34-22-12-13-25-20-21-31-30(23-25)29-19-11-10-14-26(29)24-33-31/h4-9,15-18,20-21,23-24H,10-11,14,19,22H2,1-3H3
InChIKeyZPCMVOYTCYKSOS-UHFFFAOYSA-N
MW475.71 g/mol
LogP6.04
Rot. Bonds4

About tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane

tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane (PubChem CID 15678070) has the molecular formula C32H33NOSi and a molecular weight of 475.71 g/mol. Its IUPAC name is tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane
PubChem CID15678070
Molecular FormulaC32H33NOSi
Molecular Weight475.71 g/mol
Exact Mass475.23
IUPAC Nametert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane
SMILESCC(C)(C)[Si](OCC#Cc1ccc2ncc3c(c2c1)CCCC3)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33NOSi/c1-32(2,3)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)34-22-12-13-25-20-21-31-30(23-25)29-19-11-10-14-26(29)24-33-31/h4-9,15-18,20-21,23-24H,10-11,14,19,22H2,1-3H3
InChIKeyZPCMVOYTCYKSOS-UHFFFAOYSA-N
XLogP6.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.71
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane (CID 15678070) is tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane is CC(C)(C)[Si](OCC#Cc1ccc2ncc3c(c2c1)CCCC3)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane?
The InChIKey is ZPCMVOYTCYKSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NOSi/c1-32(2,3)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)34-22-12-13-25-20-21-31-30(23-25)29-19-11-10-14-26(29)24-33-31/h4-9,15-18,20-21,23-24H,10-11,14,19,22H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane?
tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane has a molecular weight of 475.71 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[3-(7,8,9,10-tetrahydrophenanthridin-2-yl)prop-2-ynoxy]silane is sourced from PubChem (CID 15678070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).