triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane

C36H42Si2 — CID 141424466

IUPACtriethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane
SMILESC#Cc1cccc2ccc3c([Si](CC)(CC)CC)c4c(ccc5ccccc54)c([Si](CC)(CC)CC)c3c12
InChIInChI=1S/C36H42Si2/c1-8-26-19-17-20-28-23-25-31-34(32(26)28)36(38(12-5,13-6)14-7)30-24-22-27-18-15-16-21-29(27)33(30)35(31)37(9-2,10-3)11-4/h1,15-25H,9-14H2,2-7H3
InChIKeyPVIIXZJVGVZBGR-UHFFFAOYSA-N
MW530.90 g/mol
LogP9.71
Rot. Bonds8

About triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane

triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane (PubChem CID 141424466) has the molecular formula C36H42Si2 and a molecular weight of 530.90 g/mol. Its IUPAC name is triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane.

Molecular Properties

Compound Nametriethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane
PubChem CID141424466
Molecular FormulaC36H42Si2
Molecular Weight530.90 g/mol
Exact Mass530.28
IUPAC Nametriethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane
SMILESC#Cc1cccc2ccc3c([Si](CC)(CC)CC)c4c(ccc5ccccc54)c([Si](CC)(CC)CC)c3c12
InChIInChI=1S/C36H42Si2/c1-8-26-19-17-20-28-23-25-31-34(32(26)28)36(38(12-5,13-6)14-7)30-24-22-27-18-15-16-21-29(27)33(30)35(31)37(9-2,10-3)11-4/h1,15-25H,9-14H2,2-7H3
InChIKeyPVIIXZJVGVZBGR-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.90
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

12-ethynylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 102419347
1-ethynyl-8-methylnaphthalene
CID 71370768
1-ethynyl-6-[2-[8-[2-(6-ethynylpyren-1-yl)ethynyl]naphthalen-1-yl]ethynyl]pyrene
CID 102133431
8-ethynyl-1-methylnaphthalen-2-ol
CID 174277605
triethyl(pyren-2-yl)silane
CID 134844118
benzo[c]phenanthrene;chrysene
CID 161372898
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
triethyl(2-naphthalen-1-ylethynyl)silane
CID 102108205
pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
CID 163289904
1,8-diethynylpyrene
CID 53420148
8-ethynyl-1-propan-2-ylnaphthalen-2-ol
CID 171748302
phenanthrene;pyrene;triphenylene
CID 162115949

Frequently Asked Questions

What is the IUPAC name of triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane?
The IUPAC name of triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane (CID 141424466) is triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane.
What is the SMILES notation for triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane?
The canonical SMILES for triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane is C#Cc1cccc2ccc3c([Si](CC)(CC)CC)c4c(ccc5ccccc54)c([Si](CC)(CC)CC)c3c12.
What is the InChIKey of triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane?
The InChIKey is PVIIXZJVGVZBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42Si2/c1-8-26-19-17-20-28-23-25-31-34(32(26)28)36(38(12-5,13-6)14-7)30-24-22-27-18-15-16-21-29(27)33(30)35(31)37(9-2,10-3)11-4/h1,15-25H,9-14H2,2-7H3.
What are the key properties of triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane?
triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane has a molecular weight of 530.90 g/mol, XLogP of 9.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(1-ethynyl-7-triethylsilylnaphtho[1,2-b]phenanthren-14-yl)silane is sourced from PubChem (CID 141424466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).