2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene

C28H18BrClO — CID 151777589

IUPAC2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene
SMILESClc1ccc(Oc2ccc3c(-c4ccccc4)cccc3c2-c2ccccc2)c(Br)c1
InChIInChI=1S/C28H18BrClO/c29-25-18-21(30)14-16-26(25)31-27-17-15-23-22(19-8-3-1-4-9-19)12-7-13-24(23)28(27)20-10-5-2-6-11-20/h1-18H
InChIKeyRTXHTDBXRFSFJA-UHFFFAOYSA-N
MW485.81 g/mol
LogP9.38
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene

2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene (PubChem CID 151777589) has the molecular formula C28H18BrClO and a molecular weight of 485.81 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene
PubChem CID151777589
Molecular FormulaC28H18BrClO
Molecular Weight485.81 g/mol
Exact Mass484.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene
SMILESClc1ccc(Oc2ccc3c(-c4ccccc4)cccc3c2-c2ccccc2)c(Br)c1
InChIInChI=1S/C28H18BrClO/c29-25-18-21(30)14-16-26(25)31-27-17-15-23-22(19-8-3-1-4-9-19)12-7-13-24(23)28(27)20-10-5-2-6-11-20/h1-18H
InChIKeyRTXHTDBXRFSFJA-UHFFFAOYSA-N
XLogP9.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.81
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1,5-diphenylnaphthalene
CID 151219603
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
9-bromo-2-chloro-10-phenylanthracene
CID 90194805
[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
CID 63377591
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
(2-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010693
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
CID 60789446
2-(2,3-diphenylphenoxy)phenol
CID 66866690
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene (CID 151777589) is 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene is Clc1ccc(Oc2ccc3c(-c4ccccc4)cccc3c2-c2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene?
The InChIKey is RTXHTDBXRFSFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrClO/c29-25-18-21(30)14-16-26(25)31-27-17-15-23-22(19-8-3-1-4-9-19)12-7-13-24(23)28(27)20-10-5-2-6-11-20/h1-18H.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene?
2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene has a molecular weight of 485.81 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene is sourced from PubChem (CID 151777589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).