(3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane

C54H36AlBr3O3 — CID 134992150

IUPAC(3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane
SMILESBrc1cc(-c2ccccc2)c(O[Al](Oc2c(-c3ccccc3)cc(Br)cc2-c2ccccc2)Oc2c(-c3ccccc3)ccc(Br)c2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/3C18H13BrO.Al/c2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;19-16-12-11-15(13-7-3-1-4-8-13)18(20)17(16)14-9-5-2-6-10-14;/h3*1-12,20H;/q;;;+3/p-3
InChIKeyOMPKEQYWHLQBJD-UHFFFAOYSA-K
MW999.57 g/mol
LogP16.50
Rot. Bonds12

About (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane

(3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane (PubChem CID 134992150) has the molecular formula C54H36AlBr3O3 and a molecular weight of 999.57 g/mol. Its IUPAC name is (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane.

Molecular Properties

Compound Name(3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane
PubChem CID134992150
Molecular FormulaC54H36AlBr3O3
Molecular Weight999.57 g/mol
Exact Mass996.00
IUPAC Name(3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane
SMILESBrc1cc(-c2ccccc2)c(O[Al](Oc2c(-c3ccccc3)cc(Br)cc2-c2ccccc2)Oc2c(-c3ccccc3)ccc(Br)c2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/3C18H13BrO.Al/c2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;19-16-12-11-15(13-7-3-1-4-8-13)18(20)17(16)14-9-5-2-6-10-14;/h3*1-12,20H;/q;;;+3/p-3
InChIKeyOMPKEQYWHLQBJD-UHFFFAOYSA-K
XLogP16.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.57
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dibromo-2-methoxy-3-phenylbenzene
CID 164895909
2-bromo-1,5-diphenylnaphthalene
CID 151219603
2,5-dibromo-1,3-diphenylbenzene
CID 142746562
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
4-bromo-2,6-diphenylphenol
CID 11147454
4,5-dibromo-1-phenylnaphthalene
CID 155350544
1,4,8,11-tetraphenylpentacene
CID 102295223
3-bromo-1,6-diphenylpyrene
CID 86668275
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene
CID 150895090
2,6-dibromo-1-(2-phenylphenyl)anthracene
CID 175140401
(4-bromo-2,3-diphenylphenyl)phosphane
CID 18980701

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane?
The IUPAC name of (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane (CID 134992150) is (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane.
What is the SMILES notation for (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane?
The canonical SMILES for (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane is Brc1cc(-c2ccccc2)c(O[Al](Oc2c(-c3ccccc3)cc(Br)cc2-c2ccccc2)Oc2c(-c3ccccc3)ccc(Br)c2-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane?
The InChIKey is OMPKEQYWHLQBJD-UHFFFAOYSA-K. The full InChI is InChI=1S/3C18H13BrO.Al/c2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;19-16-12-11-15(13-7-3-1-4-8-13)18(20)17(16)14-9-5-2-6-10-14;/h3*1-12,20H;/q;;;+3/p-3.
What are the key properties of (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane?
(3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane has a molecular weight of 999.57 g/mol, XLogP of 16.50, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-diphenylphenoxy)-bis(4-bromo-2,6-diphenylphenoxy)alumane is sourced from PubChem (CID 134992150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).