CID 102423672

C78H120N2O10P2PtSi2+2 — CID 102423672

IUPAC—
SMILESCCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[C]#Cc1ccc(C#Cc2ccc(CO/C([OH2+])=[NH+]/CCC[Si](OCC)(OCC)OCC)cc2)cc1.[C]#Cc1ccc(C#Cc2ccc(COC(=O)NCCC[Si](OCC)(OCC)OCC)cc2)cc1.[Pt]
InChIInChI=1S/2C27H32NO5Si.2C12H27P.Pt/c2*1-5-23-10-12-24(13-11-23)14-15-25-16-18-26(19-17-25)22-30-27(29)28-20-9-21-34(31-6-2,32-7-3)33-8-4;2*1-4-7-10-13(11-8-5-2)12-9-6-3;/h2*10-13,16-19H,6-9,20-22H2,2-4H3,(H,28,29);2*4-12H2,1-3H3;/p+2
InChIKeyWSEQGRFAACYGFO-UHFFFAOYSA-P
MW1559.02 g/mol
LogP16.56
Rot. Bonds42

About CID 102423672

CID 102423672 (PubChem CID 102423672) has the molecular formula C78H120N2O10P2PtSi2+2 and a molecular weight of 1559.02 g/mol.

Molecular Properties

Compound NameCID 102423672
PubChem CID102423672
Molecular FormulaC78H120N2O10P2PtSi2+2
Molecular Weight1559.02 g/mol
Exact Mass1557.76
IUPAC Name—
SMILESCCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[C]#Cc1ccc(C#Cc2ccc(CO/C([OH2+])=[NH+]/CCC[Si](OCC)(OCC)OCC)cc2)cc1.[C]#Cc1ccc(C#Cc2ccc(COC(=O)NCCC[Si](OCC)(OCC)OCC)cc2)cc1.[Pt]
InChIInChI=1S/2C27H32NO5Si.2C12H27P.Pt/c2*1-5-23-10-12-24(13-11-23)14-15-25-16-18-26(19-17-25)22-30-27(29)28-20-9-21-34(31-6-2,32-7-3)33-8-4;2*1-4-7-10-13(11-8-5-2)12-9-6-3;/h2*10-13,16-19H,6-9,20-22H2,2-4H3,(H,28,29);2*4-12H2,1-3H3;/p+2
InChIKeyWSEQGRFAACYGFO-UHFFFAOYSA-P
XLogP16.56
TPSA139.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds42
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001559.02
LogP ≤ 516.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
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[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 59065485
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octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
N,N-dimethylaniline;4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
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dibenzyl (2S,4R)-4-(3-triethoxysilylpropylcarbamoyloxy)pyrrolidine-1,2-dicarboxylate
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2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
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but-3-ynyl N-(3-triethoxysilylpropyl)carbamate
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[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
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4-[4-[6-(3-triethoxysilylpropylcarbamoyloxy)hexoxy]phenyl]but-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 102423672?
The IUPAC name of CID 102423672 (CID 102423672) is not available.
What is the SMILES notation for CID 102423672?
The canonical SMILES for CID 102423672 is CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[C]#Cc1ccc(C#Cc2ccc(CO/C([OH2+])=[NH+]/CCC[Si](OCC)(OCC)OCC)cc2)cc1.[C]#Cc1ccc(C#Cc2ccc(COC(=O)NCCC[Si](OCC)(OCC)OCC)cc2)cc1.[Pt].
What is the InChIKey of CID 102423672?
The InChIKey is WSEQGRFAACYGFO-UHFFFAOYSA-P. The full InChI is InChI=1S/2C27H32NO5Si.2C12H27P.Pt/c2*1-5-23-10-12-24(13-11-23)14-15-25-16-18-26(19-17-25)22-30-27(29)28-20-9-21-34(31-6-2,32-7-3)33-8-4;2*1-4-7-10-13(11-8-5-2)12-9-6-3;/h2*10-13,16-19H,6-9,20-22H2,2-4H3,(H,28,29);2*4-12H2,1-3H3;/p+2.
What are the key properties of CID 102423672?
CID 102423672 has a molecular weight of 1559.02 g/mol, XLogP of 16.56, 42 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102423672 is sourced from PubChem (CID 102423672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).