1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine

C34H27NSi — CID 140891943

IUPAC1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(Nc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C34H27NSi/c1-4-14-31(15-5-1)36(32-16-6-2-7-17-32,33-18-8-3-9-19-33)34-24-22-29(23-25-34)35-30-21-20-27-12-10-11-13-28(27)26-30/h1-26,35H/i10D,11D,12D,13D,20D,21D,26D
InChIKeyHLXURGOPMZTEOZ-GPQHFOQHSA-N
MW484.73 g/mol
LogP5.96
Rot. Bonds6

About 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine

1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine (PubChem CID 140891943) has the molecular formula C34H27NSi and a molecular weight of 484.73 g/mol. Its IUPAC name is 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine
PubChem CID140891943
Molecular FormulaC34H27NSi
Molecular Weight484.73 g/mol
Exact Mass484.24
IUPAC Name1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(Nc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C34H27NSi/c1-4-14-31(15-5-1)36(32-16-6-2-7-17-32,33-18-8-3-9-19-33)34-24-22-29(23-25-34)35-30-21-20-27-12-10-11-13-28(27)26-30/h1-26,35H/i10D,11D,12D,13D,20D,21D,26D
InChIKeyHLXURGOPMZTEOZ-GPQHFOQHSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine?
The IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine (CID 140891943) is 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine.
What is the SMILES notation for 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine?
The canonical SMILES for 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine is [2H]c1c([2H])c([2H])c2c([2H])c(Nc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c([2H])c([2H])c2c1[2H].
What is the InChIKey of 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine?
The InChIKey is HLXURGOPMZTEOZ-GPQHFOQHSA-N. The full InChI is InChI=1S/C34H27NSi/c1-4-14-31(15-5-1)36(32-16-6-2-7-17-32,33-18-8-3-9-19-33)34-24-22-29(23-25-34)35-30-21-20-27-12-10-11-13-28(27)26-30/h1-26,35H/i10D,11D,12D,13D,20D,21D,26D.
What are the key properties of 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine?
1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine has a molecular weight of 484.73 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,8-heptadeuterio-N-(4-triphenylsilylphenyl)naphthalen-2-amine is sourced from PubChem (CID 140891943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).