1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene

C46H36Br2 — CID 132604288

IUPAC1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
SMILESCc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(Br)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C46H36Br2/c1-29-5-13-33(14-6-29)41-42(34-15-7-30(2)8-16-34)46(38-23-27-40(48)28-24-38)44(36-19-11-32(4)12-20-36)43(35-17-9-31(3)10-18-35)45(41)37-21-25-39(47)26-22-37/h5-28H,1-4H3
InChIKeyXYPNGAXXCPUTAM-UHFFFAOYSA-N
MW748.60 g/mol
LogP14.45
Rot. Bonds6

About 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene

1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene (PubChem CID 132604288) has the molecular formula C46H36Br2 and a molecular weight of 748.60 g/mol. Its IUPAC name is 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
PubChem CID132604288
Molecular FormulaC46H36Br2
Molecular Weight748.60 g/mol
Exact Mass746.12
IUPAC Name1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
SMILESCc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(Br)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C46H36Br2/c1-29-5-13-33(14-6-29)41-42(34-15-7-30(2)8-16-34)46(38-23-27-40(48)28-24-38)44(36-19-11-32(4)12-20-36)43(35-17-9-31(3)10-18-35)45(41)37-21-25-39(47)26-22-37/h5-28H,1-4H3
InChIKeyXYPNGAXXCPUTAM-UHFFFAOYSA-N
XLogP14.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.60
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
magnesium;1-bromo-4-methylbenzene;hydride
CID 173035021
2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine
CID 102228159
2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
CID 174894366
1-bromo-4-methylbenzene;methylsulfinylmethane
CID 68778706
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene
CID 141002688
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
CID 162214649
CID 162214649
2-(4-bromophenyl)-5-methylbenzene-1,3-dicarboxylic acid
CID 150599445

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene?
The IUPAC name of 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene (CID 132604288) is 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene.
What is the SMILES notation for 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene?
The canonical SMILES for 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene is Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(Br)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene?
The InChIKey is XYPNGAXXCPUTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36Br2/c1-29-5-13-33(14-6-29)41-42(34-15-7-30(2)8-16-34)46(38-23-27-40(48)28-24-38)44(36-19-11-32(4)12-20-36)43(35-17-9-31(3)10-18-35)45(41)37-21-25-39(47)26-22-37/h5-28H,1-4H3.
What are the key properties of 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene?
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene has a molecular weight of 748.60 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene is sourced from PubChem (CID 132604288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).