(4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene

C26H20O2 — CID 153311943

IUPAC(4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene
SMILESCOc1ccc2/c(c1)=c1/cccc/c1=c1\ccc(OC)c\c1=c1/cccc/c1=2
InChIInChI=1S/C26H20O2/c1-27-17-11-13-23-20-8-4-6-10-22(20)26-16-18(28-2)12-14-24(26)19-7-3-5-9-21(19)25(23)15-17/h3-16H,1-2H3/b23-20-,24-19-,25-21-,26-22-
InChIKeyNXUSEXRYPKXOTR-DSAJWJFISA-N
MW364.44 g/mol
LogP5.17
Rot. Bonds2

About (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene

(4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene (PubChem CID 153311943) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene
PubChem CID153311943
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name(4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene
SMILESCOc1ccc2/c(c1)=c1/cccc/c1=c1\ccc(OC)c\c1=c1/cccc/c1=2
InChIInChI=1S/C26H20O2/c1-27-17-11-13-23-20-8-4-6-10-22(20)26-16-18(28-2)12-14-24(26)19-7-3-5-9-21(19)25(23)15-17/h3-16H,1-2H3/b23-20-,24-19-,25-21-,26-22-
InChIKeyNXUSEXRYPKXOTR-DSAJWJFISA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
CID 11257041
(4aZ,8aZ,12aZ,16aZ)-1,8,9,16-tetramethoxytetraphenylene
CID 101743118
2,7-Dimethoxybiphenylene
CID 11287311
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
(1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 12626728
2,2'-Dilithio-4,4'-dimethoxy-biphenyl
CID 12845838
(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 15425792
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene
CID 25188011
Chromeno[8,7-h]chromene
CID 129740447
2,7,10-Trimethoxytetraphenylene
CID 129807438
2,7-Dimethoxytetraphenylene
CID 129892392
4,15,24,35-Tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene
CID 132531243

Frequently Asked Questions

What is the IUPAC name of (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene?
The IUPAC name of (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene (CID 153311943) is (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene?
The canonical SMILES for (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene is COc1ccc2/c(c1)=c1/cccc/c1=c1\ccc(OC)c\c1=c1/cccc/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene?
The InChIKey is NXUSEXRYPKXOTR-DSAJWJFISA-N. The full InChI is InChI=1S/C26H20O2/c1-27-17-11-13-23-20-8-4-6-10-22(20)26-16-18(28-2)12-14-24(26)19-7-3-5-9-21(19)25(23)15-17/h3-16H,1-2H3/b23-20-,24-19-,25-21-,26-22-.
What are the key properties of (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene?
(4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene has a molecular weight of 364.44 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8aZ,12aZ,16aZ)-2,10-dimethoxytetraphenylene is sourced from PubChem (CID 153311943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).