9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol

C48H30O23 — CID 71510983

IUPAC9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
SMILESOc1cc(O)cc(Oc2c(O)cc(O)c3c2oc2cc(O)c4c(c23)Oc2c(O)cc(O)c(Oc3cc(O)cc(O)c3-c3c(O)cc(O)cc3Oc3c(O)cc(O)cc3Oc3c(O)cc(O)cc3O)c2O4)c1
InChIInChI=1S/C48H30O23/c49-15-1-16(50)3-21(2-15)65-42-28(61)12-24(57)38-39-34(68-46(38)42)14-31(64)43-47(39)70-45-30(63)13-29(62)44(48(45)71-43)67-33-10-19(53)5-23(56)37(33)36-22(55)4-18(52)9-32(36)66-41-27(60)8-20(54)11-35(41)69-40-25(58)6-17(51)7-26(40)59/h1-14,49-64H
InChIKeyQZVHORVJYILFAV-UHFFFAOYSA-N
MW974.74 g/mol
LogP9.61
Rot. Bonds9

About 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol

9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol (PubChem CID 71510983) has the molecular formula C48H30O23 and a molecular weight of 974.74 g/mol. Its IUPAC name is 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol.

Molecular Properties

Compound Name9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
PubChem CID71510983
Molecular FormulaC48H30O23
Molecular Weight974.74 g/mol
Exact Mass974.12
IUPAC Name9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
SMILESOc1cc(O)cc(Oc2c(O)cc(O)c3c2oc2cc(O)c4c(c23)Oc2c(O)cc(O)c(Oc3cc(O)cc(O)c3-c3c(O)cc(O)cc3Oc3c(O)cc(O)cc3Oc3c(O)cc(O)cc3O)c2O4)c1
InChIInChI=1S/C48H30O23/c49-15-1-16(50)3-21(2-15)65-42-28(61)12-24(57)38-39-34(68-46(38)42)14-31(64)43-47(39)70-45-30(63)13-29(62)44(48(45)71-43)67-33-10-19(53)5-23(56)37(33)36-22(55)4-18(52)9-32(36)66-41-27(60)8-20(54)11-35(41)69-40-25(58)6-17(51)7-26(40)59/h1-14,49-64H
InChIKeyQZVHORVJYILFAV-UHFFFAOYSA-N
XLogP9.61
TPSA392.20 Ų
H-Bond Donors16
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500974.74
LogP ≤ 59.61
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1023

Analyze 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol?
The IUPAC name of 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol (CID 71510983) is 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol.
What is the SMILES notation for 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol?
The canonical SMILES for 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol is Oc1cc(O)cc(Oc2c(O)cc(O)c3c2oc2cc(O)c4c(c23)Oc2c(O)cc(O)c(Oc3cc(O)cc(O)c3-c3c(O)cc(O)cc3Oc3c(O)cc(O)cc3Oc3c(O)cc(O)cc3O)c2O4)c1.
What is the InChIKey of 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol?
The InChIKey is QZVHORVJYILFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O23/c49-15-1-16(50)3-21(2-15)65-42-28(61)12-24(57)38-39-34(68-46(38)42)14-31(64)43-47(39)70-45-30(63)13-29(62)44(48(45)71-43)67-33-10-19(53)5-23(56)37(33)36-22(55)4-18(52)9-32(36)66-41-27(60)8-20(54)11-35(41)69-40-25(58)6-17(51)7-26(40)59/h1-14,49-64H.
What are the key properties of 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol?
9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol has a molecular weight of 974.74 g/mol, XLogP of 9.61, 9 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol is sourced from PubChem (CID 71510983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).