[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane

C33H47Sb — CID 177442086

IUPAC[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane
SMILESCC(C)(C)c1cc(C2=CC=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2[SbH2])cc(C(C)(C)C)c1
InChIInChI=1S/C33H45.Sb.2H/c1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12;;;/h13-21H,1-12H3;;;
InChIKeyUWTWGPDBISVKDZ-UHFFFAOYSA-N
MW565.50 g/mol
LogP8.78
Rot. Bonds2

About [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane

[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane (PubChem CID 177442086) has the molecular formula C33H47Sb and a molecular weight of 565.50 g/mol. Its IUPAC name is [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane.

Molecular Properties

Compound Name[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane
PubChem CID177442086
Molecular FormulaC33H47Sb
Molecular Weight565.50 g/mol
Exact Mass564.27
IUPAC Name[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane
SMILESCC(C)(C)c1cc(C2=CC=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2[SbH2])cc(C(C)(C)C)c1
InChIInChI=1S/C33H45.Sb.2H/c1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12;;;/h13-21H,1-12H3;;;
InChIKeyUWTWGPDBISVKDZ-UHFFFAOYSA-N
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.50
LogP ≤ 58.78
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

[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane
CID 177390862
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane
CID 177413562
1,3-ditert-butyl-5-(3,5-ditert-butylphenyl)benzene;phosphorous acid
CID 162262845
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
CID 102196691
CID 102196691
2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene
CID 18406157
CID 102196690
CID 102196690
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
CID 174992277
CID 174992277
3,14-bis(3,5-ditert-butylphenyl)-22,23-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(25),21,23,26-tetradecaene
CID 123435210
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane?
The IUPAC name of [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane (CID 177442086) is [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane.
What is the SMILES notation for [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane?
The canonical SMILES for [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane is CC(C)(C)c1cc(C2=CC=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2[SbH2])cc(C(C)(C)C)c1.
What is the InChIKey of [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane?
The InChIKey is UWTWGPDBISVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45.Sb.2H/c1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12;;;/h13-21H,1-12H3;;;.
What are the key properties of [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane?
[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane has a molecular weight of 565.50 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane is sourced from PubChem (CID 177442086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).