1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene

C26H20Br2 — CID 167027161

IUPAC1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
SMILESCc1cc(-c2ccc(-c3ccc(Br)cc3)c(C)c2)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C26H20Br2/c1-17-15-21(7-13-25(17)19-3-9-23(27)10-4-19)22-8-14-26(18(2)16-22)20-5-11-24(28)12-6-20/h3-16H,1-2H3
InChIKeyYASQRDDCLSZHBT-UHFFFAOYSA-N
MW492.25 g/mol
LogP8.83
Rot. Bonds3

About 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene

1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene (PubChem CID 167027161) has the molecular formula C26H20Br2 and a molecular weight of 492.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
PubChem CID167027161
Molecular FormulaC26H20Br2
Molecular Weight492.25 g/mol
Exact Mass489.99
IUPAC Name1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
SMILESCc1cc(-c2ccc(-c3ccc(Br)cc3)c(C)c2)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C26H20Br2/c1-17-15-21(7-13-25(17)19-3-9-23(27)10-4-19)22-8-14-26(18(2)16-22)20-5-11-24(28)12-6-20/h3-16H,1-2H3
InChIKeyYASQRDDCLSZHBT-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.25
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene?
The IUPAC name of 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene (CID 167027161) is 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene.
What is the SMILES notation for 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene?
The canonical SMILES for 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene is Cc1cc(-c2ccc(-c3ccc(Br)cc3)c(C)c2)ccc1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene?
The InChIKey is YASQRDDCLSZHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2/c1-17-15-21(7-13-25(17)19-3-9-23(27)10-4-19)22-8-14-26(18(2)16-22)20-5-11-24(28)12-6-20/h3-16H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene?
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene has a molecular weight of 492.25 g/mol, XLogP of 8.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene is sourced from PubChem (CID 167027161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).