1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene

C26H19Br3 — CID 123288717

IUPAC1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene
SMILESCc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C26H19Br3/c1-18-2-4-19(5-3-18)26(20-6-12-23(27)13-7-20,21-8-14-24(28)15-9-21)22-10-16-25(29)17-11-22/h2-17H,1H3
InChIKeyPSGHKHOKRUUTHK-UHFFFAOYSA-N
MW571.15 g/mol
LogP8.67
Rot. Bonds4

About 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene

1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene (PubChem CID 123288717) has the molecular formula C26H19Br3 and a molecular weight of 571.15 g/mol. Its IUPAC name is 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene.

Molecular Properties

Compound Name1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene
PubChem CID123288717
Molecular FormulaC26H19Br3
Molecular Weight571.15 g/mol
Exact Mass567.90
IUPAC Name1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene
SMILESCc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C26H19Br3/c1-18-2-4-19(5-3-18)26(20-6-12-23(27)13-7-20,21-8-14-24(28)15-9-21)22-10-16-25(29)17-11-22/h2-17H,1H3
InChIKeyPSGHKHOKRUUTHK-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.15
LogP ≤ 58.67
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-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene?
The IUPAC name of 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene (CID 123288717) is 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene.
What is the SMILES notation for 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene?
The canonical SMILES for 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene is Cc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene?
The InChIKey is PSGHKHOKRUUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br3/c1-18-2-4-19(5-3-18)26(20-6-12-23(27)13-7-20,21-8-14-24(28)15-9-21)22-10-16-25(29)17-11-22/h2-17H,1H3.
What are the key properties of 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene?
1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene has a molecular weight of 571.15 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene is sourced from PubChem (CID 123288717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).