1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene

C38H36Br2O4 — CID 102325433

IUPAC1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene
SMILESCOCc1cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(COC)c(Br)cc5COC)cc4)cc3)cc2)c(COC)cc1Br
InChIInChI=1S/C38H36Br2O4/c1-41-21-31-19-37(39)33(23-43-3)17-35(31)29-13-9-27(10-14-29)25-5-7-26(8-6-25)28-11-15-30(16-12-28)36-18-34(24-44-4)38(40)20-32(36)22-42-2/h5-20H,21-24H2,1-4H3
InChIKeyXHSGYLACYBSOLF-UHFFFAOYSA-N
MW716.51 g/mol
LogP10.47
Rot. Bonds12

About 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene

1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene (PubChem CID 102325433) has the molecular formula C38H36Br2O4 and a molecular weight of 716.51 g/mol. Its IUPAC name is 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene
PubChem CID102325433
Molecular FormulaC38H36Br2O4
Molecular Weight716.51 g/mol
Exact Mass714.10
IUPAC Name1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene
SMILESCOCc1cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(COC)c(Br)cc5COC)cc4)cc3)cc2)c(COC)cc1Br
InChIInChI=1S/C38H36Br2O4/c1-41-21-31-19-37(39)33(23-43-3)17-35(31)29-13-9-27(10-14-29)25-5-7-26(8-6-25)28-11-15-30(16-12-28)36-18-34(24-44-4)38(40)20-32(36)22-42-2/h5-20H,21-24H2,1-4H3
InChIKeyXHSGYLACYBSOLF-UHFFFAOYSA-N
XLogP10.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.51
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol
CID 172654460
4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol
CID 142421465
[4-[2-(methoxymethyl)-4-(4-methylphenyl)phenyl]phenyl]methanol
CID 145122079
2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
CID 117364056
1-bromo-4-(bromomethyl)-2-(methoxymethyl)benzene
CID 167483529
2-bromo-4-[[3-bromo-4-(methoxymethyl)phenyl]disulfanyl]-1-(methoxymethyl)benzene
CID 57296423
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519
4-(4-chlorophenyl)-3-(methoxymethyl)aniline
CID 59165672
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene
CID 91883137
2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole
CID 170557804
4-bromo-3-(methoxymethyl)benzoic acid
CID 19771229

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene?
The IUPAC name of 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene (CID 102325433) is 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene is COCc1cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(COC)c(Br)cc5COC)cc4)cc3)cc2)c(COC)cc1Br.
What is the InChIKey of 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene?
The InChIKey is XHSGYLACYBSOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36Br2O4/c1-41-21-31-19-37(39)33(23-43-3)17-35(31)29-13-9-27(10-14-29)25-5-7-26(8-6-25)28-11-15-30(16-12-28)36-18-34(24-44-4)38(40)20-32(36)22-42-2/h5-20H,21-24H2,1-4H3.
What are the key properties of 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene?
1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene has a molecular weight of 716.51 g/mol, XLogP of 10.47, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene is sourced from PubChem (CID 102325433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).