2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide

C32H50N4O8Si2 — CID 177421665

IUPAC2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide
SMILESCCO[Si](CCCNC(=O)c1ccc2ccc3ccc(C(=O)NCCC[Si](OCC)(OCC)OCC)nc3c2n1)(OCC)OCC
InChIInChI=1S/C32H50N4O8Si2/c1-7-39-45(40-8-2,41-9-3)23-13-21-33-31(37)27-19-17-25-15-16-26-18-20-28(36-30(26)29(25)35-27)32(38)34-22-14-24-46(42-10-4,43-11-5)44-12-6/h15-20H,7-14,21-24H2,1-6H3,(H,33,37)(H,34,38)
InChIKeyQYBSBMKJONFXQI-UHFFFAOYSA-N
MW674.94 g/mol
LogP5.12
Rot. Bonds22

About 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide

2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide (PubChem CID 177421665) has the molecular formula C32H50N4O8Si2 and a molecular weight of 674.94 g/mol. Its IUPAC name is 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide.

Molecular Properties

Compound Name2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide
PubChem CID177421665
Molecular FormulaC32H50N4O8Si2
Molecular Weight674.94 g/mol
Exact Mass674.32
IUPAC Name2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide
SMILESCCO[Si](CCCNC(=O)c1ccc2ccc3ccc(C(=O)NCCC[Si](OCC)(OCC)OCC)nc3c2n1)(OCC)OCC
InChIInChI=1S/C32H50N4O8Si2/c1-7-39-45(40-8-2,41-9-3)23-13-21-33-31(37)27-19-17-25-15-16-26-18-20-28(36-30(26)29(25)35-27)32(38)34-22-14-24-46(42-10-4,43-11-5)44-12-6/h15-20H,7-14,21-24H2,1-6H3,(H,33,37)(H,34,38)
InChIKeyQYBSBMKJONFXQI-UHFFFAOYSA-N
XLogP5.12
TPSA139.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.94
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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CID 101042875
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
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CID 87657796
4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide
CID 155657712
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
CID 91272770
N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide
CID 23729749
4-[4-carboxy-3-(4-triethoxysilylbutylcarbamoyl)phenyl]-2-(4-triethoxysilylbutylcarbamoyl)benzoic acid
CID 158572965
3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide
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3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide?
The IUPAC name of 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide (CID 177421665) is 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide.
What is the SMILES notation for 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide?
The canonical SMILES for 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide is CCO[Si](CCCNC(=O)c1ccc2ccc3ccc(C(=O)NCCC[Si](OCC)(OCC)OCC)nc3c2n1)(OCC)OCC.
What is the InChIKey of 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide?
The InChIKey is QYBSBMKJONFXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N4O8Si2/c1-7-39-45(40-8-2,41-9-3)23-13-21-33-31(37)27-19-17-25-15-16-26-18-20-28(36-30(26)29(25)35-27)32(38)34-22-14-24-46(42-10-4,43-11-5)44-12-6/h15-20H,7-14,21-24H2,1-6H3,(H,33,37)(H,34,38).
What are the key properties of 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide?
2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide has a molecular weight of 674.94 g/mol, XLogP of 5.12, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide is sourced from PubChem (CID 177421665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).