(1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane

C65H52Si — CID 141038980

IUPAC(1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane
SMILESc1ccc(C2(c3ccccc3)CC(c3ccccc3)([Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C65H52Si/c1-11-31-52(32-12-1)62(53-33-13-2-14-34-53)51-63(54-35-15-3-16-36-54,66(59-45-25-8-26-46-59,60-47-27-9-28-48-60)61-49-29-10-30-50-61)65(57-41-21-6-22-42-57,58-43-23-7-24-44-58)64(62,55-37-17-4-18-38-55)56-39-19-5-20-40-56/h1-50H,51H2
InChIKeyLEEJMISYBOJVLU-UHFFFAOYSA-N
MW861.22 g/mol
LogP13.00
Rot. Bonds11

About (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane

(1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane (PubChem CID 141038980) has the molecular formula C65H52Si and a molecular weight of 861.22 g/mol. Its IUPAC name is (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane.

Molecular Properties

Compound Name(1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane
PubChem CID141038980
Molecular FormulaC65H52Si
Molecular Weight861.22 g/mol
Exact Mass860.38
IUPAC Name(1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane
SMILESc1ccc(C2(c3ccccc3)CC(c3ccccc3)([Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C65H52Si/c1-11-31-52(32-12-1)62(53-33-13-2-14-34-53)51-63(54-35-15-3-16-36-54,66(59-45-25-8-26-46-59,60-47-27-9-28-48-60)61-49-29-10-30-50-61)65(57-41-21-6-22-42-57,58-43-23-7-24-44-58)64(62,55-37-17-4-18-38-55)56-39-19-5-20-40-56/h1-50H,51H2
InChIKeyLEEJMISYBOJVLU-UHFFFAOYSA-N
XLogP13.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.22
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
dimethyl-phenyl-(3-phenyl-1-bicyclo[1.1.1]pentanyl)silane
CID 154717529
trimethyl-[1-(1-triphenylsilylcyclopropyl)cyclopropyl]silane
CID 11395834
(1,2,2,3,3-pentakis-phenylcyclopentyl)phosphane
CID 141287167
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
CID 162276045
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one
CID 90108464
2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile
CID 13199261
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961

Frequently Asked Questions

What is the IUPAC name of (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane?
The IUPAC name of (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane (CID 141038980) is (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane.
What is the SMILES notation for (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane?
The canonical SMILES for (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane is c1ccc(C2(c3ccccc3)CC(c3ccccc3)([Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane?
The InChIKey is LEEJMISYBOJVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52Si/c1-11-31-52(32-12-1)62(53-33-13-2-14-34-53)51-63(54-35-15-3-16-36-54,66(59-45-25-8-26-46-59,60-47-27-9-28-48-60)61-49-29-10-30-50-61)65(57-41-21-6-22-42-57,58-43-23-7-24-44-58)64(62,55-37-17-4-18-38-55)56-39-19-5-20-40-56/h1-50H,51H2.
What are the key properties of (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane?
(1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane has a molecular weight of 861.22 g/mol, XLogP of 13.00, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane is sourced from PubChem (CID 141038980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).