6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol

C38H24O11 — CID 160775990

IUPAC6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6c(O)c(O)c(O)c(O)c6O)c6ccccc56)cc4c3c2)c(O)c1O
InChIInChI=1S/C38H24O11/c39-29-26(30(40)34(44)37(47)33(29)43)16-10-12-24-22(14-16)21-13-15(9-11-23(21)49-24)25-17-5-1-3-7-19(17)27(20-8-4-2-6-18(20)25)28-31(41)35(45)38(48)36(46)32(28)42/h1-14,39-48H
InChIKeyRZYJDCCQPNULNW-UHFFFAOYSA-N
MW656.60 g/mol
LogP7.95
Rot. Bonds3

About 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol

6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol (PubChem CID 160775990) has the molecular formula C38H24O11 and a molecular weight of 656.60 g/mol. Its IUPAC name is 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
PubChem CID160775990
Molecular FormulaC38H24O11
Molecular Weight656.60 g/mol
Exact Mass656.13
IUPAC Name6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6c(O)c(O)c(O)c(O)c6O)c6ccccc56)cc4c3c2)c(O)c1O
InChIInChI=1S/C38H24O11/c39-29-26(30(40)34(44)37(47)33(29)43)16-10-12-24-22(14-16)21-13-15(9-11-23(21)49-24)25-17-5-1-3-7-19(17)27(20-8-4-2-6-18(20)25)28-31(41)35(45)38(48)36(46)32(28)42/h1-14,39-48H
InChIKeyRZYJDCCQPNULNW-UHFFFAOYSA-N
XLogP7.95
TPSA215.44 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500656.60
LogP ≤ 57.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-[8-[10-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran-5-yl]benzene-1,2,3,4,5-pentol
CID 170281254
6-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163666775
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
6-[8-[10-(2,3,4,5,6-pentahydroxycyclohexa-1,5-dien-1-yl)anthracen-9-yl]dibenzofuran-3-yl]benzene-1,2,3,4,5-pentol
CID 163708943
2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol
CID 163620543
6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 146650073
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 163477678
9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 158620166

Frequently Asked Questions

What is the IUPAC name of 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol (CID 160775990) is 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6c(O)c(O)c(O)c(O)c6O)c6ccccc56)cc4c3c2)c(O)c1O.
What is the InChIKey of 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is RZYJDCCQPNULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O11/c39-29-26(30(40)34(44)37(47)33(29)43)16-10-12-24-22(14-16)21-13-15(9-11-23(21)49-24)25-17-5-1-3-7-19(17)27(20-8-4-2-6-18(20)25)28-31(41)35(45)38(48)36(46)32(28)42/h1-14,39-48H.
What are the key properties of 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol?
6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 656.60 g/mol, XLogP of 7.95, 3 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 160775990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).