1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene

C32H32Br2O8 — CID 46926505

IUPAC1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C32H32Br2O8/c1-35-25-9-17(19(11-27(25)37-3)21-13-29(39-5)31(41-7)15-23(21)33)18-10-26(36-2)28(38-4)12-20(18)22-14-30(40-6)32(42-8)16-24(22)34/h9-16H,1-8H3
InChIKeyKQCNLZNWCHZYTD-UHFFFAOYSA-N
MW704.41 g/mol
LogP8.28
Rot. Bonds11

About 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene

1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene (PubChem CID 46926505) has the molecular formula C32H32Br2O8 and a molecular weight of 704.41 g/mol. Its IUPAC name is 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene
PubChem CID46926505
Molecular FormulaC32H32Br2O8
Molecular Weight704.41 g/mol
Exact Mass702.05
IUPAC Name1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C32H32Br2O8/c1-35-25-9-17(19(11-27(25)37-3)21-13-29(39-5)31(41-7)15-23(21)33)18-10-26(36-2)28(38-4)12-20(18)22-14-30(40-6)32(42-8)16-24(22)34/h9-16H,1-8H3
InChIKeyKQCNLZNWCHZYTD-UHFFFAOYSA-N
XLogP8.28
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.41
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene (CID 46926505) is 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene is COc1cc(Br)c(-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2Br)cc1OC.
What is the InChIKey of 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene?
The InChIKey is KQCNLZNWCHZYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Br2O8/c1-35-25-9-17(19(11-27(25)37-3)21-13-29(39-5)31(41-7)15-23(21)33)18-10-26(36-2)28(38-4)12-20(18)22-14-30(40-6)32(42-8)16-24(22)34/h9-16H,1-8H3.
What are the key properties of 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene?
1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene has a molecular weight of 704.41 g/mol, XLogP of 8.28, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 46926505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).