tris(2,3,4,5,6-pentakis-phenylphenyl)alumane

C108H75Al — CID 177448020

IUPACtris(2,3,4,5,6-pentakis-phenylphenyl)alumane
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c([Al](c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/3C36H25.Al/c3*1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30)36(31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29;/h3*1-25H;
InChIKeyHRMCXAIVRBLZPS-UHFFFAOYSA-N
MW1399.77 g/mol
LogP27.21
Rot. Bonds18

About tris(2,3,4,5,6-pentakis-phenylphenyl)alumane

tris(2,3,4,5,6-pentakis-phenylphenyl)alumane (PubChem CID 177448020) has the molecular formula C108H75Al and a molecular weight of 1399.77 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentakis-phenylphenyl)alumane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentakis-phenylphenyl)alumane
PubChem CID177448020
Molecular FormulaC108H75Al
Molecular Weight1399.77 g/mol
Exact Mass1398.57
IUPAC Nametris(2,3,4,5,6-pentakis-phenylphenyl)alumane
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c([Al](c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/3C36H25.Al/c3*1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30)36(31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29;/h3*1-25H;
InChIKeyHRMCXAIVRBLZPS-UHFFFAOYSA-N
XLogP27.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001399.77
LogP ≤ 527.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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benzene;tris(1,1'-biphenyl)
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2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
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(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium
CID 173257937
2,3,4,5,6-pentakis-phenylphosphinine
CID 12931023
2-phenyl-3-sulfanylcycloprop-2-en-1-one
CID 12695478
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
CID 53446764
CID 53446764
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975

Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentakis-phenylphenyl)alumane?
The IUPAC name of tris(2,3,4,5,6-pentakis-phenylphenyl)alumane (CID 177448020) is tris(2,3,4,5,6-pentakis-phenylphenyl)alumane.
What is the SMILES notation for tris(2,3,4,5,6-pentakis-phenylphenyl)alumane?
The canonical SMILES for tris(2,3,4,5,6-pentakis-phenylphenyl)alumane is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c([Al](c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of tris(2,3,4,5,6-pentakis-phenylphenyl)alumane?
The InChIKey is HRMCXAIVRBLZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H25.Al/c3*1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30)36(31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29;/h3*1-25H;.
What are the key properties of tris(2,3,4,5,6-pentakis-phenylphenyl)alumane?
tris(2,3,4,5,6-pentakis-phenylphenyl)alumane has a molecular weight of 1399.77 g/mol, XLogP of 27.21, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentakis-phenylphenyl)alumane is sourced from PubChem (CID 177448020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).