bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane

C27H31BBr2 — CID 101493330

IUPACbis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane
SMILESCC(C)c1cc(C(C)C)c(B(c2ccc(Br)cc2)c2ccc(Br)cc2)c(C(C)C)c1
InChIInChI=1S/C27H31BBr2/c1-17(2)20-15-25(18(3)4)27(26(16-20)19(5)6)28(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h7-19H,1-6H3
InChIKeyJHJXCGRMMJGKPC-UHFFFAOYSA-N
MW526.17 g/mol
LogP7.10
Rot. Bonds6

About bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane

bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane (PubChem CID 101493330) has the molecular formula C27H31BBr2 and a molecular weight of 526.17 g/mol. Its IUPAC name is bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane.

Molecular Properties

Compound Namebis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane
PubChem CID101493330
Molecular FormulaC27H31BBr2
Molecular Weight526.17 g/mol
Exact Mass524.09
IUPAC Namebis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane
SMILESCC(C)c1cc(C(C)C)c(B(c2ccc(Br)cc2)c2ccc(Br)cc2)c(C(C)C)c1
InChIInChI=1S/C27H31BBr2/c1-17(2)20-15-25(18(3)4)27(26(16-20)19(5)6)28(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h7-19H,1-6H3
InChIKeyJHJXCGRMMJGKPC-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.17
LogP ≤ 57.10
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

4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N,N-bis(4-methylphenyl)aniline
CID 101493327
N-(4-tert-butylphenyl)-4-[[4-(4-tert-butyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N-(4-trimethylsilylphenyl)aniline
CID 102591303
bis[2,4,6-tri(propan-2-yl)phenyl]borinic acid
CID 139174643
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162
[2,4,6-tri(propan-2-yl)phenyl]tellanyllithium
CID 134893243
4-[[4-amino-3,5-di(propan-2-yl)phenyl]-(4-bromophenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 68747983
(4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane
CID 139406486
4-bromo-N-[[2,4-di(propan-2-yl)phenyl]methyl]-N-ethylaniline
CID 166335951
2-bromo-3,5-di(propan-2-yl)phenol
CID 11550631
4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine
CID 135149052
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106

Frequently Asked Questions

What is the IUPAC name of bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane?
The IUPAC name of bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane (CID 101493330) is bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane.
What is the SMILES notation for bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane?
The canonical SMILES for bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane is CC(C)c1cc(C(C)C)c(B(c2ccc(Br)cc2)c2ccc(Br)cc2)c(C(C)C)c1.
What is the InChIKey of bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane?
The InChIKey is JHJXCGRMMJGKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31BBr2/c1-17(2)20-15-25(18(3)4)27(26(16-20)19(5)6)28(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h7-19H,1-6H3.
What are the key properties of bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane?
bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane has a molecular weight of 526.17 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane is sourced from PubChem (CID 101493330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).