1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene

C26H20Br2O — CID 15555313

IUPAC1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene
SMILESBrc1ccc(C(OC(c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H20Br2O/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)29-26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H
InChIKeyDVDHNHPHNIXHCU-UHFFFAOYSA-N
MW508.25 g/mol
LogP8.11
Rot. Bonds6

About 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene

1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene (PubChem CID 15555313) has the molecular formula C26H20Br2O and a molecular weight of 508.25 g/mol. Its IUPAC name is 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene
PubChem CID15555313
Molecular FormulaC26H20Br2O
Molecular Weight508.25 g/mol
Exact Mass505.99
IUPAC Name1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene
SMILESBrc1ccc(C(OC(c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H20Br2O/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)29-26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H
InChIKeyDVDHNHPHNIXHCU-UHFFFAOYSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.25
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene?
The IUPAC name of 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene (CID 15555313) is 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene.
What is the SMILES notation for 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene?
The canonical SMILES for 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene is Brc1ccc(C(OC(c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene?
The InChIKey is DVDHNHPHNIXHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2O/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)29-26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H.
What are the key properties of 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene?
1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene has a molecular weight of 508.25 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[[(4-bromophenyl)-phenylmethoxy]-phenylmethyl]benzene is sourced from PubChem (CID 15555313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).