1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene

C34H26Br4 — CID 5064576

IUPAC1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene
SMILESBrCc1ccc(-c2cc(-c3ccc(CBr)cc3)c(-c3ccc(CBr)cc3)cc2-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C34H26Br4/c35-19-23-1-9-27(10-2-23)31-17-33(29-13-5-25(21-37)6-14-29)34(30-15-7-26(22-38)8-16-30)18-32(31)28-11-3-24(20-36)4-12-28/h1-18H,19-22H2
InChIKeyKMXPXZNPXOGVRP-UHFFFAOYSA-N
MW754.20 g/mol
LogP11.93
Rot. Bonds8

About 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene

1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene (PubChem CID 5064576) has the molecular formula C34H26Br4 and a molecular weight of 754.20 g/mol. Its IUPAC name is 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene
PubChem CID5064576
Molecular FormulaC34H26Br4
Molecular Weight754.20 g/mol
Exact Mass749.88
IUPAC Name1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene
SMILESBrCc1ccc(-c2cc(-c3ccc(CBr)cc3)c(-c3ccc(CBr)cc3)cc2-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C34H26Br4/c35-19-23-1-9-27(10-2-23)31-17-33(29-13-5-25(21-37)6-14-29)34(30-15-7-26(22-38)8-16-30)18-32(31)28-11-3-24(20-36)4-12-28/h1-18H,19-22H2
InChIKeyKMXPXZNPXOGVRP-UHFFFAOYSA-N
XLogP11.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.20
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene
CID 3611718
5-(bromomethyl)-2-[4-(bromomethyl)phenyl]benzonitrile
CID 139840124
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
1-(bromomethyl)-4-(4-methylphenyl)benzene;methane
CID 157394028
CID 57470384
CID 57470384
[4-(bromomethyl)phenyl]methanamine
CID 24721042
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
tris[4-(bromomethyl)phenyl]phosphane
CID 58675353
1,1'-biphenyl;bromomethylbenzene
CID 18398670
4-[4-(bromomethyl)phenyl]benzamide
CID 123362022
1-(bromomethyl)-3-(2-phenylphenyl)benzene
CID 67009845
4-[4-(bromomethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 165451622

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene?
The IUPAC name of 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene (CID 5064576) is 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene?
The canonical SMILES for 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene is BrCc1ccc(-c2cc(-c3ccc(CBr)cc3)c(-c3ccc(CBr)cc3)cc2-c2ccc(CBr)cc2)cc1.
What is the InChIKey of 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene?
The InChIKey is KMXPXZNPXOGVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Br4/c35-19-23-1-9-27(10-2-23)31-17-33(29-13-5-25(21-37)6-14-29)34(30-15-7-26(22-38)8-16-30)18-32(31)28-11-3-24(20-36)4-12-28/h1-18H,19-22H2.
What are the key properties of 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene?
1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene has a molecular weight of 754.20 g/mol, XLogP of 11.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene is sourced from PubChem (CID 5064576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).