triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane

C42H72N2O6Si2 — CID 155602682

IUPACtriethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane
SMILESCCO[Si](CCCCCCCCCc1c(CCCCCCCCC[Si](OCC)(OCC)OCC)c2cccnc2c2ncccc12)(OCC)OCC
InChIInChI=1S/C42H72N2O6Si2/c1-7-45-51(46-8-2,47-9-3)35-25-21-17-13-15-19-23-29-37-38(40-32-28-34-44-42(40)41-39(37)31-27-33-43-41)30-24-20-16-14-18-22-26-36-52(48-10-4,49-11-5)50-12-6/h27-28,31-34H,7-26,29-30,35-36H2,1-6H3
InChIKeyRJCYOWGEFNPNAJ-UHFFFAOYSA-N
MW757.22 g/mol
LogP11.43
Rot. Bonds32

About triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane

triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane (PubChem CID 155602682) has the molecular formula C42H72N2O6Si2 and a molecular weight of 757.22 g/mol. Its IUPAC name is triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane.

Molecular Properties

Compound Nametriethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane
PubChem CID155602682
Molecular FormulaC42H72N2O6Si2
Molecular Weight757.22 g/mol
Exact Mass756.49
IUPAC Nametriethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane
SMILESCCO[Si](CCCCCCCCCc1c(CCCCCCCCC[Si](OCC)(OCC)OCC)c2cccnc2c2ncccc12)(OCC)OCC
InChIInChI=1S/C42H72N2O6Si2/c1-7-45-51(46-8-2,47-9-3)35-25-21-17-13-15-19-23-29-37-38(40-32-28-34-44-42(40)41-39(37)31-27-33-43-41)30-24-20-16-14-18-22-26-36-52(48-10-4,49-11-5)50-12-6/h27-28,31-34H,7-26,29-30,35-36H2,1-6H3
InChIKeyRJCYOWGEFNPNAJ-UHFFFAOYSA-N
XLogP11.43
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.22
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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triethoxy-[5-(3-fluorophenyl)pentyl]silane
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28-chlorooctacosyl(triethoxy)silane
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2,3-bis(3-triethoxysilylpropyl)aniline
CID 69038548
4-(8-ethoxyquinolin-5-yl)butan-1-amine
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CID 87448204
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90170863
pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 59228638
18-bromooctadecyl(triethoxy)silane
CID 87686820

Frequently Asked Questions

What is the IUPAC name of triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane?
The IUPAC name of triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane (CID 155602682) is triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane.
What is the SMILES notation for triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane?
The canonical SMILES for triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane is CCO[Si](CCCCCCCCCc1c(CCCCCCCCC[Si](OCC)(OCC)OCC)c2cccnc2c2ncccc12)(OCC)OCC.
What is the InChIKey of triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane?
The InChIKey is RJCYOWGEFNPNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H72N2O6Si2/c1-7-45-51(46-8-2,47-9-3)35-25-21-17-13-15-19-23-29-37-38(40-32-28-34-44-42(40)41-39(37)31-27-33-43-41)30-24-20-16-14-18-22-26-36-52(48-10-4,49-11-5)50-12-6/h27-28,31-34H,7-26,29-30,35-36H2,1-6H3.
What are the key properties of triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane?
triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane has a molecular weight of 757.22 g/mol, XLogP of 11.43, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane is sourced from PubChem (CID 155602682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).