diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane

C33H31Al — CID 142204190

IUPACdiethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane
SMILESCC[Al](CC)C1(c2ccccc2)C=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H21.2C2H5.Al/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;2*1-2;/h1-21H;2*1H2,2H3;
InChIKeyFGKGXAXCZYKRAV-UHFFFAOYSA-N
MW454.59 g/mol
LogP8.71
Rot. Bonds7

About diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane

diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane (PubChem CID 142204190) has the molecular formula C33H31Al and a molecular weight of 454.59 g/mol. Its IUPAC name is diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane.

Molecular Properties

Compound Namediethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane
PubChem CID142204190
Molecular FormulaC33H31Al
Molecular Weight454.59 g/mol
Exact Mass454.22
IUPAC Namediethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane
SMILESCC[Al](CC)C1(c2ccccc2)C=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H21.2C2H5.Al/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;2*1-2;/h1-21H;2*1H2,2H3;
InChIKeyFGKGXAXCZYKRAV-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane?
The IUPAC name of diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane (CID 142204190) is diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane.
What is the SMILES notation for diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane?
The canonical SMILES for diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane is CC[Al](CC)C1(c2ccccc2)C=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane?
The InChIKey is FGKGXAXCZYKRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21.2C2H5.Al/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;2*1-2;/h1-21H;2*1H2,2H3;.
What are the key properties of diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane?
diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane has a molecular weight of 454.59 g/mol, XLogP of 8.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)alumane is sourced from PubChem (CID 142204190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).