(1-bromo-2,2,2-triphenylethyl)benzene

C26H21Br — CID 141334125

IUPAC(1-bromo-2,2,2-triphenylethyl)benzene
SMILESBrC(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21Br/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H
InChIKeyNATMQKTURNWGCR-UHFFFAOYSA-N
MW413.36 g/mol
LogP7.16
Rot. Bonds5

About (1-bromo-2,2,2-triphenylethyl)benzene

(1-bromo-2,2,2-triphenylethyl)benzene (PubChem CID 141334125) has the molecular formula C26H21Br and a molecular weight of 413.36 g/mol. Its IUPAC name is (1-bromo-2,2,2-triphenylethyl)benzene.

Molecular Properties

Compound Name(1-bromo-2,2,2-triphenylethyl)benzene
PubChem CID141334125
Molecular FormulaC26H21Br
Molecular Weight413.36 g/mol
Exact Mass412.08
IUPAC Name(1-bromo-2,2,2-triphenylethyl)benzene
SMILESBrC(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21Br/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H
InChIKeyNATMQKTURNWGCR-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.36
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-bromo-1,2,2-triphenylethyl)benzene
CID 122414724
1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene
CID 101034345
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
(1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene
CID 22056706
2,3-bis[bromo(phenyl)methyl]-2,3-dihydroxybutanedial
CID 71345208
(2,2-dichloro-1,1-diphenylethyl)benzene
CID 141484377
(1,2,2-tribromo-2-nitroethyl)benzene
CID 15311500
(1-nitro-2,2,2-triphenylethyl)benzene
CID 134984287
1-bromoethylbenzene
CID 11454
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
3-methyl-1,1,1-triphenylbutan-2-amine
CID 67050578

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2,2,2-triphenylethyl)benzene?
The IUPAC name of (1-bromo-2,2,2-triphenylethyl)benzene (CID 141334125) is (1-bromo-2,2,2-triphenylethyl)benzene.
What is the SMILES notation for (1-bromo-2,2,2-triphenylethyl)benzene?
The canonical SMILES for (1-bromo-2,2,2-triphenylethyl)benzene is BrC(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-bromo-2,2,2-triphenylethyl)benzene?
The InChIKey is NATMQKTURNWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Br/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H.
What are the key properties of (1-bromo-2,2,2-triphenylethyl)benzene?
(1-bromo-2,2,2-triphenylethyl)benzene has a molecular weight of 413.36 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2,2,2-triphenylethyl)benzene is sourced from PubChem (CID 141334125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).