2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene

C72H50O9 — CID 57186867

IUPAC2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene
SMILESc1ccc(Oc2cccc(Oc3cccc(-c4ccc(Oc5ccc(-c6cccc(Oc7cccc(Oc8ccccc8)c7)c6)cc5Oc5ccccc5Oc5ccccc5)c(Oc5ccccc5Oc5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C72H50O9/c1-5-23-55(24-6-1)73-61-33-19-35-63(49-61)75-59-31-17-21-51(45-59)53-41-43-69(71(47-53)80-67-39-15-13-37-65(67)77-57-27-9-3-10-28-57)79-70-44-42-54(48-72(70)81-68-40-16-14-38-66(68)78-58-29-11-4-12-30-58)52-22-18-32-60(46-52)76-64-36-20-34-62(50-64)74-56-25-7-2-8-26-56/h1-50H
InChIKeyBCEOEQNGAPABPE-UHFFFAOYSA-N
MW1059.18 g/mol
LogP21.15
Rot. Bonds20

About 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene

2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene (PubChem CID 57186867) has the molecular formula C72H50O9 and a molecular weight of 1059.18 g/mol. Its IUPAC name is 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene.

Molecular Properties

Compound Name2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene
PubChem CID57186867
Molecular FormulaC72H50O9
Molecular Weight1059.18 g/mol
Exact Mass1058.35
IUPAC Name2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene
SMILESc1ccc(Oc2cccc(Oc3cccc(-c4ccc(Oc5ccc(-c6cccc(Oc7cccc(Oc8ccccc8)c7)c6)cc5Oc5ccccc5Oc5ccccc5)c(Oc5ccccc5Oc5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C72H50O9/c1-5-23-55(24-6-1)73-61-33-19-35-63(49-61)75-59-31-17-21-51(45-59)53-41-43-69(71(47-53)80-67-39-15-13-37-65(67)77-57-27-9-3-10-28-57)79-70-44-42-54(48-72(70)81-68-40-16-14-38-66(68)78-58-29-11-4-12-30-58)52-22-18-32-60(46-52)76-64-36-20-34-62(50-64)74-56-25-7-2-8-26-56/h1-50H
InChIKeyBCEOEQNGAPABPE-UHFFFAOYSA-N
XLogP21.15
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.18
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
1,2-bis(4-phenylphenoxy)benzene
CID 23083743
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
CID 160906545
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
1,3-diphenoxy-2-phenylbenzene
CID 88611434
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene?
The IUPAC name of 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene (CID 57186867) is 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene.
What is the SMILES notation for 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene?
The canonical SMILES for 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene is c1ccc(Oc2cccc(Oc3cccc(-c4ccc(Oc5ccc(-c6cccc(Oc7cccc(Oc8ccccc8)c7)c6)cc5Oc5ccccc5Oc5ccccc5)c(Oc5ccccc5Oc5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene?
The InChIKey is BCEOEQNGAPABPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50O9/c1-5-23-55(24-6-1)73-61-33-19-35-63(49-61)75-59-31-17-21-51(45-59)53-41-43-69(71(47-53)80-67-39-15-13-37-65(67)77-57-27-9-3-10-28-57)79-70-44-42-54(48-72(70)81-68-40-16-14-38-66(68)78-58-29-11-4-12-30-58)52-22-18-32-60(46-52)76-64-36-20-34-62(50-64)74-56-25-7-2-8-26-56/h1-50H.
What are the key properties of 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene?
2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene has a molecular weight of 1059.18 g/mol, XLogP of 21.15, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene is sourced from PubChem (CID 57186867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).