2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline

C70H50N2O8S2 — CID 88530720

IUPAC2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)c(-c7ccccc7)c6)cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H50N2O8S2/c1-47-17-35-59(36-18-47)81(73,74)61-39-31-57(32-40-61)79-67-43-23-52(45-63(67)48-11-5-3-6-12-48)53-24-44-68(64(46-53)49-13-7-4-8-14-49)80-58-33-41-62(42-34-58)82(75,76)60-37-29-56(30-38-60)78-55-27-21-51(22-28-55)70-69(50-19-25-54(77-2)26-20-50)71-65-15-9-10-16-66(65)72-70/h3-46H,1-2H3
InChIKeyLYJPQVGDZVLUDC-UHFFFAOYSA-N
MW1111.31 g/mol
LogP17.32
Rot. Bonds16

About 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline

2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline (PubChem CID 88530720) has the molecular formula C70H50N2O8S2 and a molecular weight of 1111.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline
PubChem CID88530720
Molecular FormulaC70H50N2O8S2
Molecular Weight1111.31 g/mol
Exact Mass1110.30
IUPAC Name2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)c(-c7ccccc7)c6)cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H50N2O8S2/c1-47-17-35-59(36-18-47)81(73,74)61-39-31-57(32-40-61)79-67-43-23-52(45-63(67)48-11-5-3-6-12-48)53-24-44-68(64(46-53)49-13-7-4-8-14-49)80-58-33-41-62(42-34-58)82(75,76)60-37-29-56(30-38-60)78-55-27-21-51(22-28-55)70-69(50-19-25-54(77-2)26-20-50)71-65-15-9-10-16-66(65)72-70/h3-46H,1-2H3
InChIKeyLYJPQVGDZVLUDC-UHFFFAOYSA-N
XLogP17.32
TPSA130.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.31
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylphenoxy]-4-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]propan-2-yloxy]-3-phenylphenyl]-2-phenylbenzene
CID 143437921
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158339825
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678
5-(4-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylphenoxy]benzenesulfonic acid
CID 135215271
[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol
CID 90323974
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
N-[4-[4-(N-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 23397817
[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 59847031
methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
methane;1-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenoxy]phenyl]sulfonyl-4-(2-phenylethynyl)benzene;1-methyl-4-[4-[4-[4-[4-[4-(2-phenylethynyl)phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene;bis(tritium monohydride)
CID 161193971

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline?
The IUPAC name of 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline (CID 88530720) is 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline is COc1ccc(-c2nc3ccccc3nc2-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)c(-c7ccccc7)c6)cc5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline?
The InChIKey is LYJPQVGDZVLUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2O8S2/c1-47-17-35-59(36-18-47)81(73,74)61-39-31-57(32-40-61)79-67-43-23-52(45-63(67)48-11-5-3-6-12-48)53-24-44-68(64(46-53)49-13-7-4-8-14-49)80-58-33-41-62(42-34-58)82(75,76)60-37-29-56(30-38-60)78-55-27-21-51(22-28-55)70-69(50-19-25-54(77-2)26-20-50)71-65-15-9-10-16-66(65)72-70/h3-46H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline?
2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline has a molecular weight of 1111.31 g/mol, XLogP of 17.32, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline is sourced from PubChem (CID 88530720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).