(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane

C66H98Si — CID 140589095

IUPAC(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C2=C(Cc3ccccc3)C=CC2)(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(CCCCCC)cc(CCCCCC)c2)c1
InChIInChI=1S/C66H98Si/c1-7-13-19-26-37-56-45-57(38-27-20-14-8-2)50-63(49-56)67(66-44-34-43-62(66)48-55-35-32-25-33-36-55,64-51-58(39-28-21-15-9-3)46-59(52-64)40-29-22-16-10-4)65-53-60(41-30-23-17-11-5)47-61(54-65)42-31-24-18-12-6/h25,32-36,43,45-47,49-54H,7-24,26-31,37-42,44,48H2,1-6H3
InChIKeyLGLUEEVKDITJNW-UHFFFAOYSA-N
MW919.60 g/mol
LogP17.93
Rot. Bonds36

About (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane

(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane (PubChem CID 140589095) has the molecular formula C66H98Si and a molecular weight of 919.60 g/mol. Its IUPAC name is (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane.

Molecular Properties

Compound Name(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane
PubChem CID140589095
Molecular FormulaC66H98Si
Molecular Weight919.60 g/mol
Exact Mass918.74
IUPAC Name(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C2=C(Cc3ccccc3)C=CC2)(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(CCCCCC)cc(CCCCCC)c2)c1
InChIInChI=1S/C66H98Si/c1-7-13-19-26-37-56-45-57(38-27-20-14-8-2)50-63(49-56)67(66-44-34-43-62(66)48-55-35-32-25-33-36-55,64-51-58(39-28-21-15-9-3)46-59(52-64)40-29-22-16-10-4)65-53-60(41-30-23-17-11-5)47-61(54-65)42-31-24-18-12-6/h25,32-36,43,45-47,49-54H,7-24,26-31,37-42,44,48H2,1-6H3
InChIKeyLGLUEEVKDITJNW-UHFFFAOYSA-N
XLogP17.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.60
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane
CID 173383727
1-benzyl-3,5-dioctylbenzene
CID 22920470
1-benzyl-3-pentadecylbenzene
CID 173121378
(2-butylcyclopenta-1,3-dien-1-yl)-tris(4-butylphenyl)silane
CID 123313636
1,3-di(tetradecyl)benzene
CID 91053224
N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline
CID 23286701
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 123322742

Frequently Asked Questions

What is the IUPAC name of (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane?
The IUPAC name of (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane (CID 140589095) is (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane.
What is the SMILES notation for (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane?
The canonical SMILES for (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane is CCCCCCc1cc(CCCCCC)cc([Si](C2=C(Cc3ccccc3)C=CC2)(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(CCCCCC)cc(CCCCCC)c2)c1.
What is the InChIKey of (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane?
The InChIKey is LGLUEEVKDITJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H98Si/c1-7-13-19-26-37-56-45-57(38-27-20-14-8-2)50-63(49-56)67(66-44-34-43-62(66)48-55-35-32-25-33-36-55,64-51-58(39-28-21-15-9-3)46-59(52-64)40-29-22-16-10-4)65-53-60(41-30-23-17-11-5)47-61(54-65)42-31-24-18-12-6/h25,32-36,43,45-47,49-54H,7-24,26-31,37-42,44,48H2,1-6H3.
What are the key properties of (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane?
(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane has a molecular weight of 919.60 g/mol, XLogP of 17.93, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane is sourced from PubChem (CID 140589095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).