2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene

C32H30Br4O — CID 57063185

IUPAC2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Br)(OC(Br)(c2ccccc2Br)c2c(C)cc(C)cc2C)c2ccccc2Br)c(C)c1
InChIInChI=1S/C32H30Br4O/c1-19-15-21(3)29(22(4)16-19)31(35,25-11-7-9-13-27(25)33)37-32(36,26-12-8-10-14-28(26)34)30-23(5)17-20(2)18-24(30)6/h7-18H,1-6H3
InChIKeyQVXFTYKNTROGFM-UHFFFAOYSA-N
MW750.21 g/mol
LogP10.97
Rot. Bonds6

About 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene

2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 57063185) has the molecular formula C32H30Br4O and a molecular weight of 750.21 g/mol. Its IUPAC name is 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID57063185
Molecular FormulaC32H30Br4O
Molecular Weight750.21 g/mol
Exact Mass745.90
IUPAC Name2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Br)(OC(Br)(c2ccccc2Br)c2c(C)cc(C)cc2C)c2ccccc2Br)c(C)c1
InChIInChI=1S/C32H30Br4O/c1-19-15-21(3)29(22(4)16-19)31(35,25-11-7-9-13-27(25)33)37-32(36,26-12-8-10-14-28(26)34)30-23(5)17-20(2)18-24(30)6/h7-18H,1-6H3
InChIKeyQVXFTYKNTROGFM-UHFFFAOYSA-N
XLogP10.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.21
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S,4R)-1,4-bis(4-bromonaphthalen-1-yl)-1,4-dimethoxynaphthalene
CID 89989807
Bis[[1-(4-bromophenyl)-1-phenyl]methyl]ether
CID 129855011
1,3-Dibromo-2-[2-[[2-(2,6-dibromo-4-fluorophenyl)phenyl]methoxymethyl]phenyl]-5-fluorobenzene
CID 88494330
1,3-Bis(2-bromophenyl)-2-(4-methoxyphenyl)-5-(4-methylphenyl)benzene
CID 11467371
1,3-Bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 101257502
2-(1-bromonaphthalen-2-yl)-5-methyl-3,6-dihydro-2H-pyran
CID 101512804
2-(1-bromonaphthalen-2-yl)-4-methyl-3,6-dihydro-2H-pyran
CID 101512811
6-Bromo-2-naphthyl-4-vinylbenzyl ether
CID 129834494
1-Bromo-2-[3-methyl-1-(2-methylprop-2-enoxy)but-3-enyl]naphthalene
CID 134832644
2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 134832709
1-Bromo-2-[1-(2-methylprop-2-enoxy)but-3-enyl]naphthalene
CID 134833038
1-Bromo-2-(3-methyl-1-prop-2-enoxybut-3-enyl)naphthalene
CID 134857316

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene (CID 57063185) is 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(Br)(OC(Br)(c2ccccc2Br)c2c(C)cc(C)cc2C)c2ccccc2Br)c(C)c1.
What is the InChIKey of 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is QVXFTYKNTROGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Br4O/c1-19-15-21(3)29(22(4)16-19)31(35,25-11-7-9-13-27(25)33)37-32(36,26-12-8-10-14-28(26)34)30-23(5)17-20(2)18-24(30)6/h7-18H,1-6H3.
What are the key properties of 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene?
2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 750.21 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-[bromo-(2-bromophenyl)-(2,4,6-trimethylphenyl)methoxy]-(2-bromophenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 57063185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).