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

C46H55Sb — CID 177413562

IUPACbenzhydrylidene-[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[Sb]=C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C33H45.C13H10.Sb/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;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h13-21H,1-12H3;1-10H;
InChIKeyAFJBKVPICROWBK-UHFFFAOYSA-N
MW729.71 g/mol
LogP12.12
Rot. Bonds5

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

benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane (PubChem CID 177413562) has the molecular formula C46H55Sb and a molecular weight of 729.71 g/mol. Its IUPAC name is benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane.

Molecular Properties

Compound Namebenzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane
PubChem CID177413562
Molecular FormulaC46H55Sb
Molecular Weight729.71 g/mol
Exact Mass728.33
IUPAC Namebenzhydrylidene-[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[Sb]=C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C33H45.C13H10.Sb/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;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h13-21H,1-12H3;1-10H;
InChIKeyAFJBKVPICROWBK-UHFFFAOYSA-N
XLogP12.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.71
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane?
The IUPAC name of benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane (CID 177413562) is benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane.
What is the SMILES notation for benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane?
The canonical SMILES for benzhydrylidene-[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[Sb]=C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane?
The InChIKey is AFJBKVPICROWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45.C13H10.Sb/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;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h13-21H,1-12H3;1-10H;.
What are the key properties of benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane?
benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane has a molecular weight of 729.71 g/mol, XLogP of 12.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane is sourced from PubChem (CID 177413562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).