(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene

C30H28O6 — CID 135016708

IUPAC(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene
SMILESCOc1cccc2/c1=c1/c(OC)ccc(OC)/c1=c1\c(OC)ccc(OC)\c1=c1/c(OC)ccc/c1=2
InChIInChI=1S/C30H28O6/c1-31-19-11-7-9-17-18-10-8-12-20(32-2)26(18)28-22(34-4)14-16-24(36-6)30(28)29-23(35-5)15-13-21(33-3)27(29)25(17)19/h7-16H,1-6H3/b18-17-,27-25+,28-26+,30-29-
InChIKeyDSGHKGRWUWSJEC-QDIPRLHDSA-N
MW484.55 g/mol
LogP5.20
Rot. Bonds6

About (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene

(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene (PubChem CID 135016708) has the molecular formula C30H28O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene
PubChem CID135016708
Molecular FormulaC30H28O6
Molecular Weight484.55 g/mol
Exact Mass484.19
IUPAC Name(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene
SMILESCOc1cccc2/c1=c1/c(OC)ccc(OC)/c1=c1\c(OC)ccc(OC)\c1=c1/c(OC)ccc/c1=2
InChIInChI=1S/C30H28O6/c1-31-19-11-7-9-17-18-10-8-12-20(32-2)26(18)28-22(34-4)14-16-24(36-6)30(28)29-23(35-5)15-13-21(33-3)27(29)25(17)19/h7-16H,1-6H3/b18-17-,27-25+,28-26+,30-29-
InChIKeyDSGHKGRWUWSJEC-QDIPRLHDSA-N
XLogP5.20
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene with MolForge

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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
(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,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
2,7,10-Trimethoxytetraphenylene
CID 129807438
2,7-Dimethoxytetraphenylene
CID 129892392
(4aZ,8aZ,12aZ,16aZ)-1,4,5,16-tetramethoxytetraphenylene
CID 135016860
(4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene
CID 135016964
12,15-Dimethoxyundecacyclo[36.2.2.22,5.26,9.218,21.222,25.226,29.230,33.234,37.08,13.014,19]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-octacosaene
CID 162416798
(4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene
CID 87857694
1,2-Dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene
CID 90935645

Frequently Asked Questions

What is the IUPAC name of (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene?
The IUPAC name of (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene (CID 135016708) is (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene?
The canonical SMILES for (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene is COc1cccc2/c1=c1/c(OC)ccc(OC)/c1=c1\c(OC)ccc(OC)\c1=c1/c(OC)ccc/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene?
The InChIKey is DSGHKGRWUWSJEC-QDIPRLHDSA-N. The full InChI is InChI=1S/C30H28O6/c1-31-19-11-7-9-17-18-10-8-12-20(32-2)26(18)28-22(34-4)14-16-24(36-6)30(28)29-23(35-5)15-13-21(33-3)27(29)25(17)19/h7-16H,1-6H3/b18-17-,27-25+,28-26+,30-29-.
What are the key properties of (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene?
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene has a molecular weight of 484.55 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene is sourced from PubChem (CID 135016708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).