[2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane

C31H36Si — CID 173383265

IUPAC[2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane
SMILESCCCCc1ccc(C2=C(C)C(C)=C(C)C2(C)[SiH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H36Si/c1-6-7-14-26-19-21-27(22-20-26)30-24(3)23(2)25(4)31(30,5)32(28-15-10-8-11-16-28)29-17-12-9-13-18-29/h8-13,15-22,32H,6-7,14H2,1-5H3
InChIKeyYFNBVTWYAORWHM-UHFFFAOYSA-N
MW436.72 g/mol
LogP6.95
Rot. Bonds7

About [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane

[2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane (PubChem CID 173383265) has the molecular formula C31H36Si and a molecular weight of 436.72 g/mol. Its IUPAC name is [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane.

Molecular Properties

Compound Name[2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane
PubChem CID173383265
Molecular FormulaC31H36Si
Molecular Weight436.72 g/mol
Exact Mass436.26
IUPAC Name[2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane
SMILESCCCCc1ccc(C2=C(C)C(C)=C(C)C2(C)[SiH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H36Si/c1-6-7-14-26-19-21-27(22-20-26)30-24(3)23(2)25(4)31(30,5)32(28-15-10-8-11-16-28)29-17-12-9-13-18-29/h8-13,15-22,32H,6-7,14H2,1-5H3
InChIKeyYFNBVTWYAORWHM-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.72
LogP ≤ 56.95
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
1-butyl-4-methylbenzene;phenol
CID 174834955
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474111
1-pentadecyl-4-phenylbenzene
CID 57166115
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
butylbenzene;propylbenzene
CID 142022125
1-hexyl-4-methylbenzene;toluene
CID 173071388
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
4-butylphenol;phenol;4-propylphenol
CID 157420199
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane?
The IUPAC name of [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane (CID 173383265) is [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane.
What is the SMILES notation for [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane?
The canonical SMILES for [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane is CCCCc1ccc(C2=C(C)C(C)=C(C)C2(C)[SiH](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane?
The InChIKey is YFNBVTWYAORWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Si/c1-6-7-14-26-19-21-27(22-20-26)30-24(3)23(2)25(4)31(30,5)32(28-15-10-8-11-16-28)29-17-12-9-13-18-29/h8-13,15-22,32H,6-7,14H2,1-5H3.
What are the key properties of [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane?
[2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane has a molecular weight of 436.72 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylphenyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]-diphenylsilane is sourced from PubChem (CID 173383265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).