1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene

C48H42O6 — CID 15766197

IUPAC1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C48H42O6/c1-49-37-19-7-31(8-20-37)43-44(32-9-21-38(50-2)22-10-32)46(34-13-25-40(52-4)26-14-34)48(36-17-29-42(54-6)30-18-36)47(35-15-27-41(53-5)28-16-35)45(43)33-11-23-39(51-3)24-12-33/h7-30H,1-6H3
InChIKeyHTMHFJLQSDHHAJ-UHFFFAOYSA-N
MW714.86 g/mol
LogP11.74
Rot. Bonds12

About 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene

1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene (PubChem CID 15766197) has the molecular formula C48H42O6 and a molecular weight of 714.86 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene
PubChem CID15766197
Molecular FormulaC48H42O6
Molecular Weight714.86 g/mol
Exact Mass714.30
IUPAC Name1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C48H42O6/c1-49-37-19-7-31(8-20-37)43-44(32-9-21-38(50-2)22-10-32)46(34-13-25-40(52-4)26-14-34)48(36-17-29-42(54-6)30-18-36)47(35-15-27-41(53-5)28-16-35)45(43)33-11-23-39(51-3)24-12-33/h7-30H,1-6H3
InChIKeyHTMHFJLQSDHHAJ-UHFFFAOYSA-N
XLogP11.74
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.86
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene?
The IUPAC name of 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene (CID 15766197) is 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene?
The canonical SMILES for 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene is COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene?
The InChIKey is HTMHFJLQSDHHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42O6/c1-49-37-19-7-31(8-20-37)43-44(32-9-21-38(50-2)22-10-32)46(34-13-25-40(52-4)26-14-34)48(36-17-29-42(54-6)30-18-36)47(35-15-27-41(53-5)28-16-35)45(43)33-11-23-39(51-3)24-12-33/h7-30H,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene?
1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene has a molecular weight of 714.86 g/mol, XLogP of 11.74, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexakis(4-methoxyphenyl)benzene is sourced from PubChem (CID 15766197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).