[5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane

C34H34Si — CID 173384771

IUPAC[5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane
SMILESCCCCc1ccc(C2=C(Cc3ccccc3)C([SiH](c3ccccc3)c3ccccc3)=CC2)cc1
InChIInChI=1S/C34H34Si/c1-2-3-13-27-20-22-29(23-21-27)32-24-25-34(33(32)26-28-14-7-4-8-15-28)35(30-16-9-5-10-17-30)31-18-11-6-12-19-31/h4-12,14-23,25,35H,2-3,13,24,26H2,1H3
InChIKeyRYZNXNRXFGMBGS-UHFFFAOYSA-N
MW470.73 g/mol
LogP6.94
Rot. Bonds9

About [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane

[5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane (PubChem CID 173384771) has the molecular formula C34H34Si and a molecular weight of 470.73 g/mol. Its IUPAC name is [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane.

Molecular Properties

Compound Name[5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane
PubChem CID173384771
Molecular FormulaC34H34Si
Molecular Weight470.73 g/mol
Exact Mass470.24
IUPAC Name[5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane
SMILESCCCCc1ccc(C2=C(Cc3ccccc3)C([SiH](c3ccccc3)c3ccccc3)=CC2)cc1
InChIInChI=1S/C34H34Si/c1-2-3-13-27-20-22-29(23-21-27)32-24-25-34(33(32)26-28-14-7-4-8-15-28)35(30-16-9-5-10-17-30)31-18-11-6-12-19-31/h4-12,14-23,25,35H,2-3,13,24,26H2,1H3
InChIKeyRYZNXNRXFGMBGS-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.73
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-phenylbenzene;ethane
CID 143743409
butylbenzene;propylbenzene
CID 142022125
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
butylbenzene;hydroxylamine
CID 175142403
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-pentadecyl-4-phenylbenzene
CID 57166115
[5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane
CID 173384051
butylbenzene;carbonic acid
CID 158278492
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane?
The IUPAC name of [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane (CID 173384771) is [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane.
What is the SMILES notation for [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane?
The canonical SMILES for [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane is CCCCc1ccc(C2=C(Cc3ccccc3)C([SiH](c3ccccc3)c3ccccc3)=CC2)cc1.
What is the InChIKey of [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane?
The InChIKey is RYZNXNRXFGMBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Si/c1-2-3-13-27-20-22-29(23-21-27)32-24-25-34(33(32)26-28-14-7-4-8-15-28)35(30-16-9-5-10-17-30)31-18-11-6-12-19-31/h4-12,14-23,25,35H,2-3,13,24,26H2,1H3.
What are the key properties of [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane?
[5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane has a molecular weight of 470.73 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane is sourced from PubChem (CID 173384771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).