N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline

C29H33NSi — CID 23286701

IUPACN-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline
SMILESCCCCCCC1=C([Si](Nc2ccccc2)(c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C29H33NSi/c1-2-3-4-8-16-25-17-15-24-29(25)31(27-20-11-6-12-21-27,28-22-13-7-14-23-28)30-26-18-9-5-10-19-26/h5-7,9-15,17-23,30H,2-4,8,16,24H2,1H3
InChIKeyZDJSRQLODPSUFG-UHFFFAOYSA-N
MW423.68 g/mol
LogP6.62
Rot. Bonds10

About N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline

N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline (PubChem CID 23286701) has the molecular formula C29H33NSi and a molecular weight of 423.68 g/mol. Its IUPAC name is N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline.

Molecular Properties

Compound NameN-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline
PubChem CID23286701
Molecular FormulaC29H33NSi
Molecular Weight423.68 g/mol
Exact Mass423.24
IUPAC NameN-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline
SMILESCCCCCCC1=C([Si](Nc2ccccc2)(c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C29H33NSi/c1-2-3-4-8-16-25-17-15-24-29(25)31(27-20-11-6-12-21-27,28-22-13-7-14-23-28)30-26-18-9-5-10-19-26/h5-7,9-15,17-23,30H,2-4,8,16,24H2,1H3
InChIKeyZDJSRQLODPSUFG-UHFFFAOYSA-N
XLogP6.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.68
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[dimethyl-(trimethylsilylamino)silyl]-2-pentylcyclopenta-1,3-diene
CID 70307514
(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane
CID 140589095
(2-butylcyclopenta-1,3-dien-1-yl)-tris(4-butylphenyl)silane
CID 123313636
(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 150758352
bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 123322742
decyl-methyl-diphenylsilane
CID 15259590
N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine
CID 123463246
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline?
The IUPAC name of N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline (CID 23286701) is N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline.
What is the SMILES notation for N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline?
The canonical SMILES for N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline is CCCCCCC1=C([Si](Nc2ccccc2)(c2ccccc2)c2ccccc2)CC=C1.
What is the InChIKey of N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline?
The InChIKey is ZDJSRQLODPSUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NSi/c1-2-3-4-8-16-25-17-15-24-29(25)31(27-20-11-6-12-21-27,28-22-13-7-14-23-28)30-26-18-9-5-10-19-26/h5-7,9-15,17-23,30H,2-4,8,16,24H2,1H3.
What are the key properties of N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline?
N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline has a molecular weight of 423.68 g/mol, XLogP of 6.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline is sourced from PubChem (CID 23286701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).