1-bromo-4-[tris(4-bromophenyl)methyl]benzene

C25H16Br4 — CID 11250692

IUPAC1-bromo-4-[tris(4-bromophenyl)methyl]benzene
SMILESBrc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H
InChIKeyYBGIIZGNEOJSRF-UHFFFAOYSA-N
MW636.02 g/mol
LogP9.12
Rot. Bonds4

About 1-bromo-4-[tris(4-bromophenyl)methyl]benzene

1-bromo-4-[tris(4-bromophenyl)methyl]benzene (PubChem CID 11250692) has the molecular formula C25H16Br4 and a molecular weight of 636.02 g/mol. Its IUPAC name is 1-bromo-4-[tris(4-bromophenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[tris(4-bromophenyl)methyl]benzene
PubChem CID11250692
Molecular FormulaC25H16Br4
Molecular Weight636.02 g/mol
Exact Mass631.80
IUPAC Name1-bromo-4-[tris(4-bromophenyl)methyl]benzene
SMILESBrc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H
InChIKeyYBGIIZGNEOJSRF-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.02
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[tris(4-bromophenyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[tris(4-bromophenyl)methyl]benzene (CID 11250692) is 1-bromo-4-[tris(4-bromophenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[tris(4-bromophenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[tris(4-bromophenyl)methyl]benzene is Brc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[tris(4-bromophenyl)methyl]benzene?
The InChIKey is YBGIIZGNEOJSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H.
What are the key properties of 1-bromo-4-[tris(4-bromophenyl)methyl]benzene?
1-bromo-4-[tris(4-bromophenyl)methyl]benzene has a molecular weight of 636.02 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[tris(4-bromophenyl)methyl]benzene is sourced from PubChem (CID 11250692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).