(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene

C28H24O2 — CID 25188011

IUPAC(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene
SMILESCOc1cccc2/c1=c1/c(OC)ccc/c1=c1\cc(C)cc\c1=c1/ccc(C)c/c1=2
InChIInChI=1S/C28H24O2/c1-17-11-13-19-20-14-12-18(2)16-24(20)22-8-6-10-26(30-4)28(22)27-21(23(19)15-17)7-5-9-25(27)29-3/h5-16H,1-4H3/b20-19-,23-21-,24-22-,28-27-
InChIKeyOPMXLANKGMLABM-UTUIIGMCSA-N
MW392.50 g/mol
LogP5.78
Rot. Bonds2

About (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene

(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene (PubChem CID 25188011) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene
PubChem CID25188011
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene
SMILESCOc1cccc2/c1=c1/c(OC)ccc/c1=c1\cc(C)cc\c1=c1/ccc(C)c/c1=2
InChIInChI=1S/C28H24O2/c1-17-11-13-19-20-14-12-18(2)16-24(20)22-8-6-10-26(30-4)28(22)27-21(23(19)15-17)7-5-9-25(27)29-3/h5-16H,1-4H3/b20-19-,23-21-,24-22-,28-27-
InChIKeyOPMXLANKGMLABM-UTUIIGMCSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene with MolForge

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Related Compounds

(1)Benzopyrano(5,4,3-cde)(1)benzopyran
CID 6451338
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
CID 11257041
(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
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-dimethoxy-6,11-dimethyltetraphenylene?
The IUPAC name of (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene (CID 25188011) is (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene?
The canonical SMILES for (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene is COc1cccc2/c1=c1/c(OC)ccc/c1=c1\cc(C)cc\c1=c1/ccc(C)c/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene?
The InChIKey is OPMXLANKGMLABM-UTUIIGMCSA-N. The full InChI is InChI=1S/C28H24O2/c1-17-11-13-19-20-14-12-18(2)16-24(20)22-8-6-10-26(30-4)28(22)27-21(23(19)15-17)7-5-9-25(27)29-3/h5-16H,1-4H3/b20-19-,23-21-,24-22-,28-27-.
What are the key properties of (4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene?
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene has a molecular weight of 392.50 g/mol, XLogP of 5.78, 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-dimethoxy-6,11-dimethyltetraphenylene is sourced from PubChem (CID 25188011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).