9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol

C38H22O10 — CID 163557870

IUPAC9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3cccc4c3oc3ccccc34)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4oc5ccccc5c4c3)c2c1O
InChIInChI=1S/C38H22O10/c39-30-26-24(15-12-13-23-20(14-15)17-7-2-3-10-21(17)47-23)27-29(33(42)37(46)35(44)31(27)40)25(28(26)32(41)36(45)34(30)43)19-9-5-8-18-16-6-1-4-11-22(16)48-38(18)19/h1-14,39-46H
InChIKeyFOQUHIVCRBYIGH-UHFFFAOYSA-N
MW638.58 g/mol
LogP8.77
Rot. Bonds2

About 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol

9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 163557870) has the molecular formula C38H22O10 and a molecular weight of 638.58 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol
PubChem CID163557870
Molecular FormulaC38H22O10
Molecular Weight638.58 g/mol
Exact Mass638.12
IUPAC Name9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3cccc4c3oc3ccccc34)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4oc5ccccc5c4c3)c2c1O
InChIInChI=1S/C38H22O10/c39-30-26-24(15-12-13-23-20(14-15)17-7-2-3-10-21(17)47-23)27-29(33(42)37(46)35(44)31(27)40)25(28(26)32(41)36(45)34(30)43)19-9-5-8-18-16-6-1-4-11-22(16)48-38(18)19/h1-14,39-46H
InChIKeyFOQUHIVCRBYIGH-UHFFFAOYSA-N
XLogP8.77
TPSA188.12 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500638.58
LogP ≤ 58.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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

9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 158620166
9-(4-dibenzofuran-4-ylphenyl)-10-naphthalen-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163590841
9-naphthalen-1-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 160732184
9-dibenzofuran-2-yl-10-naphthalen-2-ylanthracene-1,2,3,4,5,6,7,8-octol;9-dibenzofuran-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol;9-dibenzofuran-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 167694750
6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 163477678
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 146650073
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 165011189
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314427
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764
6-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163666775

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol?
The IUPAC name of 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol (CID 163557870) is 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol.
What is the SMILES notation for 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol?
The canonical SMILES for 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c2c(-c3cccc4c3oc3ccccc34)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4oc5ccccc5c4c3)c2c1O.
What is the InChIKey of 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol?
The InChIKey is FOQUHIVCRBYIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O10/c39-30-26-24(15-12-13-23-20(14-15)17-7-2-3-10-21(17)47-23)27-29(33(42)37(46)35(44)31(27)40)25(28(26)32(41)36(45)34(30)43)19-9-5-8-18-16-6-1-4-11-22(16)48-38(18)19/h1-14,39-46H.
What are the key properties of 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol?
9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol has a molecular weight of 638.58 g/mol, XLogP of 8.77, 2 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 163557870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).