(3-azido-5-phenylpentyl)-triphenylsilane

C29H29N3Si — CID 151216617

IUPAC(3-azido-5-phenylpentyl)-triphenylsilane
SMILES[N-]=[N+]=NC(CCc1ccccc1)CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3Si/c30-32-31-26(22-21-25-13-5-1-6-14-25)23-24-33(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,26H,21-24H2
InChIKeyNLJTZLAOJUVLKS-UHFFFAOYSA-N
MW447.66 g/mol
LogP5.86
Rot. Bonds10

About (3-azido-5-phenylpentyl)-triphenylsilane

(3-azido-5-phenylpentyl)-triphenylsilane (PubChem CID 151216617) has the molecular formula C29H29N3Si and a molecular weight of 447.66 g/mol. Its IUPAC name is (3-azido-5-phenylpentyl)-triphenylsilane.

Molecular Properties

Compound Name(3-azido-5-phenylpentyl)-triphenylsilane
PubChem CID151216617
Molecular FormulaC29H29N3Si
Molecular Weight447.66 g/mol
Exact Mass447.21
IUPAC Name(3-azido-5-phenylpentyl)-triphenylsilane
SMILES[N-]=[N+]=NC(CCc1ccccc1)CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3Si/c30-32-31-26(22-21-25-13-5-1-6-14-25)23-24-33(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,26H,21-24H2
InChIKeyNLJTZLAOJUVLKS-UHFFFAOYSA-N
XLogP5.86
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.66
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of (3-azido-5-phenylpentyl)-triphenylsilane?
The IUPAC name of (3-azido-5-phenylpentyl)-triphenylsilane (CID 151216617) is (3-azido-5-phenylpentyl)-triphenylsilane.
What is the SMILES notation for (3-azido-5-phenylpentyl)-triphenylsilane?
The canonical SMILES for (3-azido-5-phenylpentyl)-triphenylsilane is [N-]=[N+]=NC(CCc1ccccc1)CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-azido-5-phenylpentyl)-triphenylsilane?
The InChIKey is NLJTZLAOJUVLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3Si/c30-32-31-26(22-21-25-13-5-1-6-14-25)23-24-33(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,26H,21-24H2.
What are the key properties of (3-azido-5-phenylpentyl)-triphenylsilane?
(3-azido-5-phenylpentyl)-triphenylsilane has a molecular weight of 447.66 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azido-5-phenylpentyl)-triphenylsilane is sourced from PubChem (CID 151216617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).