(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene

C26H20O2 — CID 11257041

IUPAC(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
SMILESCOc1cccc2/c1=c1/c(OC)ccc/c1=c1\cccc\c1=c1/cccc/c1=2
InChIInChI=1S/C26H20O2/c1-27-23-15-7-13-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22-14-8-16-24(28-2)26(22)25(21)23/h3-16H,1-2H3/b18-17-,21-19-,22-20-,26-25-
InChIKeyRFBFZADPJBFYMN-LPSZOVBGSA-N
MW364.44 g/mol
LogP5.17
Rot. Bonds2

About (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene

(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene (PubChem CID 11257041) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
PubChem CID11257041
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
SMILESCOc1cccc2/c1=c1/c(OC)ccc/c1=c1\cccc\c1=c1/cccc/c1=2
InChIInChI=1S/C26H20O2/c1-27-23-15-7-13-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22-14-8-16-24(28-2)26(22)25(21)23/h3-16H,1-2H3/b18-17-,21-19-,22-20-,26-25-
InChIKeyRFBFZADPJBFYMN-LPSZOVBGSA-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

Analyze (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene with MolForge

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Related Compounds

(1)Benzopyrano(5,4,3-cde)(1)benzopyran
CID 6451338
(4aZ,8aZ,12aZ,16aZ)-1,8,9,16-tetramethoxytetraphenylene
CID 101743118
25,26-Dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 102135646
(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
(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
1,8-Dihydrochromeno[4,3-b]chromene
CID 123929196
Chromeno[8,7-h]chromene
CID 129740447
Pyranobenzochromene
CID 129801544
2,7,10-Trimethoxytetraphenylene
CID 129807438
2,7-Dimethoxytetraphenylene
CID 129892392

Frequently Asked Questions

What is the IUPAC name of (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene?
The IUPAC name of (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene (CID 11257041) is (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene?
The canonical SMILES for (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene is COc1cccc2/c1=c1/c(OC)ccc/c1=c1\cccc\c1=c1/cccc/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene?
The InChIKey is RFBFZADPJBFYMN-LPSZOVBGSA-N. The full InChI is InChI=1S/C26H20O2/c1-27-23-15-7-13-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22-14-8-16-24(28-2)26(22)25(21)23/h3-16H,1-2H3/b18-17-,21-19-,22-20-,26-25-.
What are the key properties of (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene?
(4aZ,8aZ,12aZ,16aZ)-1,16-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)-1,16-dimethoxytetraphenylene is sourced from PubChem (CID 11257041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).