1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene

C31H19Br3ClF — CID 140989723

IUPAC1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene
SMILESCc1c(-c2ccc(Br)cc2)c(Cl)c(-c2ccc(F)cc2)c(-c2ccccc2Br)c1-c1cccc(Br)c1
InChIInChI=1S/C31H19Br3ClF/c1-18-27(21-5-4-6-23(33)17-21)30(25-7-2-3-8-26(25)34)29(20-11-15-24(36)16-12-20)31(35)28(18)19-9-13-22(32)14-10-19/h2-17H,1H3
InChIKeySQAXGJJTXXWWJX-UHFFFAOYSA-N
MW685.66 g/mol
LogP11.74
Rot. Bonds4

About 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene

1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene (PubChem CID 140989723) has the molecular formula C31H19Br3ClF and a molecular weight of 685.66 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene
PubChem CID140989723
Molecular FormulaC31H19Br3ClF
Molecular Weight685.66 g/mol
Exact Mass681.87
IUPAC Name1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene
SMILESCc1c(-c2ccc(Br)cc2)c(Cl)c(-c2ccc(F)cc2)c(-c2ccccc2Br)c1-c1cccc(Br)c1
InChIInChI=1S/C31H19Br3ClF/c1-18-27(21-5-4-6-23(33)17-21)30(25-7-2-3-8-26(25)34)29(20-11-15-24(36)16-12-20)31(35)28(18)19-9-13-22(32)14-10-19/h2-17H,1H3
InChIKeySQAXGJJTXXWWJX-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.66
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene?
The IUPAC name of 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene (CID 140989723) is 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene.
What is the SMILES notation for 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene?
The canonical SMILES for 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene is Cc1c(-c2ccc(Br)cc2)c(Cl)c(-c2ccc(F)cc2)c(-c2ccccc2Br)c1-c1cccc(Br)c1.
What is the InChIKey of 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene?
The InChIKey is SQAXGJJTXXWWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19Br3ClF/c1-18-27(21-5-4-6-23(33)17-21)30(25-7-2-3-8-26(25)34)29(20-11-15-24(36)16-12-20)31(35)28(18)19-9-13-22(32)14-10-19/h2-17H,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene?
1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene has a molecular weight of 685.66 g/mol, XLogP of 11.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(3-bromophenyl)-4-(4-bromophenyl)-5-chloro-6-(4-fluorophenyl)-3-methylbenzene is sourced from PubChem (CID 140989723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).