4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene

C33H24O6 — CID 102345821

IUPAC4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
SMILESCOc1ccc(-c2cc3c(o2)c2cc(-c4ccc(OC)cc4)oc2c2cc(-c4ccc(OC)cc4)oc32)cc1
InChIInChI=1S/C33H24O6/c1-34-22-10-4-19(5-11-22)28-16-25-31(37-28)26-17-29(20-6-12-23(35-2)13-7-20)39-33(26)27-18-30(38-32(25)27)21-8-14-24(36-3)15-9-21/h4-18H,1-3H3
InChIKeyQMOWTLZLVXJLTG-UHFFFAOYSA-N
MW516.55 g/mol
LogP8.95
Rot. Bonds6

About 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene

4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene (PubChem CID 102345821) has the molecular formula C33H24O6 and a molecular weight of 516.55 g/mol. Its IUPAC name is 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene.

Molecular Properties

Compound Name4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
PubChem CID102345821
Molecular FormulaC33H24O6
Molecular Weight516.55 g/mol
Exact Mass516.16
IUPAC Name4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
SMILESCOc1ccc(-c2cc3c(o2)c2cc(-c4ccc(OC)cc4)oc2c2cc(-c4ccc(OC)cc4)oc32)cc1
InChIInChI=1S/C33H24O6/c1-34-22-10-4-19(5-11-22)28-16-25-31(37-28)26-17-29(20-6-12-23(35-2)13-7-20)39-33(26)27-18-30(38-32(25)27)21-8-14-24(36-3)15-9-21/h4-18H,1-3H3
InChIKeyQMOWTLZLVXJLTG-UHFFFAOYSA-N
XLogP8.95
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene with MolForge

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Related Compounds

5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
CID 10309404
6,8-difluoro-2-(4-methoxyphenyl)chromen-4-one
CID 171716334
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
6,8-diamino-2-(4-methoxyphenyl)chromen-4-one
CID 139992876
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
3-chloro-5-(4-methoxyphenyl)-2-methylfuran
CID 14592116
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
CID 22221637
5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 10214897
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456

Frequently Asked Questions

What is the IUPAC name of 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The IUPAC name of 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene (CID 102345821) is 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene.
What is the SMILES notation for 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The canonical SMILES for 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene is COc1ccc(-c2cc3c(o2)c2cc(-c4ccc(OC)cc4)oc2c2cc(-c4ccc(OC)cc4)oc32)cc1.
What is the InChIKey of 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The InChIKey is QMOWTLZLVXJLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O6/c1-34-22-10-4-19(5-11-22)28-16-25-31(37-28)26-17-29(20-6-12-23(35-2)13-7-20)39-33(26)27-18-30(38-32(25)27)21-8-14-24(36-3)15-9-21/h4-18H,1-3H3.
What are the key properties of 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene has a molecular weight of 516.55 g/mol, XLogP of 8.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene is sourced from PubChem (CID 102345821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).