1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene

C31H31Br — CID 71135292

IUPAC1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene
SMILESCc1ccc(-c2ccc(C(C)(CC(C)C)c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H31Br/c1-22(2)21-31(4,28-15-9-25(10-16-28)24-7-5-23(3)6-8-24)29-17-11-26(12-18-29)27-13-19-30(32)20-14-27/h5-20,22H,21H2,1-4H3
InChIKeyGJAZSHMEZGZFMW-UHFFFAOYSA-N
MW483.49 g/mol
LogP9.44
Rot. Bonds6

About 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene

1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene (PubChem CID 71135292) has the molecular formula C31H31Br and a molecular weight of 483.49 g/mol. Its IUPAC name is 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene
PubChem CID71135292
Molecular FormulaC31H31Br
Molecular Weight483.49 g/mol
Exact Mass482.16
IUPAC Name1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene
SMILESCc1ccc(-c2ccc(C(C)(CC(C)C)c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H31Br/c1-22(2)21-31(4,28-15-9-25(10-16-28)24-7-5-23(3)6-8-24)29-17-11-26(12-18-29)27-13-19-30(32)20-14-27/h5-20,22H,21H2,1-4H3
InChIKeyGJAZSHMEZGZFMW-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[4-[2-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]-4-methylpentan-2-yl]phenyl]benzene
CID 71135427
[4-[N-[4-[4-methyl-2-[4-[4-(4-methylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(4-methylphenyl)anilino]phenyl] 2-methylprop-2-enoate
CID 58205425
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
CID 132604288
magnesium;1-bromo-4-methylbenzene;hydride
CID 173035021
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol
CID 83748925
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396520

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene (CID 71135292) is 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene is Cc1ccc(-c2ccc(C(C)(CC(C)C)c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene?
The InChIKey is GJAZSHMEZGZFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31Br/c1-22(2)21-31(4,28-15-9-25(10-16-28)24-7-5-23(3)6-8-24)29-17-11-26(12-18-29)27-13-19-30(32)20-14-27/h5-20,22H,21H2,1-4H3.
What are the key properties of 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene?
1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene has a molecular weight of 483.49 g/mol, XLogP of 9.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene is sourced from PubChem (CID 71135292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).