(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene

C32H32O8 — CID 53328080

IUPAC(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
SMILESCOc1ccc(OC)c2/c1=c1/c(OC)ccc(OC)/c1=c1\c(OC)ccc(OC)\c1=c1/c(OC)ccc(OC)/c1=2
InChIInChI=1S/C32H32O8/c1-33-17-9-10-18(34-2)26-25(17)27-19(35-3)11-12-20(36-4)29(27)31-23(39-7)15-16-24(40-8)32(31)30-22(38-6)14-13-21(37-5)28(26)30/h9-16H,1-8H3/b27-25-,28-26-,31-29-,32-30-
InChIKeyHMXVIBWBPFXZAT-QKDICXLYSA-N
MW544.60 g/mol
LogP5.22
Rot. Bonds8

About (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene

(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene (PubChem CID 53328080) has the molecular formula C32H32O8 and a molecular weight of 544.60 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
PubChem CID53328080
Molecular FormulaC32H32O8
Molecular Weight544.60 g/mol
Exact Mass544.21
IUPAC Name(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
SMILESCOc1ccc(OC)c2/c1=c1/c(OC)ccc(OC)/c1=c1\c(OC)ccc(OC)\c1=c1/c(OC)ccc(OC)/c1=2
InChIInChI=1S/C32H32O8/c1-33-17-9-10-18(34-2)26-25(17)27-19(35-3)11-12-20(36-4)29(27)31-23(39-7)15-16-24(40-8)32(31)30-22(38-6)14-13-21(37-5)28(26)30/h9-16H,1-8H3/b27-25-,28-26-,31-29-,32-30-
InChIKeyHMXVIBWBPFXZAT-QKDICXLYSA-N
XLogP5.22
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.60
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene with MolForge

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Related Compounds

1,4,5,8-tetramethoxynaphthalene
CID 10220551
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
bis(dichloromethane);1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 139040001
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione
CID 10060652
4,7-dimethoxy-1,2,3-benzotrithiole
CID 14939760
1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
CID 102068140
CID 102068140
4-ethenyl-1,2-dimethoxybenzene
CID 159733418

Frequently Asked Questions

What is the IUPAC name of (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene?
The IUPAC name of (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene (CID 53328080) is (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene?
The canonical SMILES for (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene is COc1ccc(OC)c2/c1=c1/c(OC)ccc(OC)/c1=c1\c(OC)ccc(OC)\c1=c1/c(OC)ccc(OC)/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene?
The InChIKey is HMXVIBWBPFXZAT-QKDICXLYSA-N. The full InChI is InChI=1S/C32H32O8/c1-33-17-9-10-18(34-2)26-25(17)27-19(35-3)11-12-20(36-4)29(27)31-23(39-7)15-16-24(40-8)32(31)30-22(38-6)14-13-21(37-5)28(26)30/h9-16H,1-8H3/b27-25-,28-26-,31-29-,32-30-.
What are the key properties of (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene?
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene has a molecular weight of 544.60 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene is sourced from PubChem (CID 53328080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).