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

C44H26O7 — CID 146650073

IUPAC6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4c3oc3ccccc34)c3ccccc23)c(O)c1O
InChIInChI=1S/C44H26O7/c45-39-38(40(46)42(48)43(49)41(39)47)36-27-12-3-1-10-25(27)35(26-11-2-4-13-28(26)36)30-19-18-23(37-29-14-6-8-16-33(29)51-44(30)37)22-17-20-34-31(21-22)24-9-5-7-15-32(24)50-34/h1-21,45-49H
InChIKeyYOWZHVHZPZQTGC-UHFFFAOYSA-N
MW666.69 g/mol
LogP11.32
Rot. Bonds3

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

6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 146650073) has the molecular formula C44H26O7 and a molecular weight of 666.69 g/mol. Its IUPAC name is 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID146650073
Molecular FormulaC44H26O7
Molecular Weight666.69 g/mol
Exact Mass666.17
IUPAC Name6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4c3oc3ccccc34)c3ccccc23)c(O)c1O
InChIInChI=1S/C44H26O7/c45-39-38(40(46)42(48)43(49)41(39)47)36-27-12-3-1-10-25(27)35(26-11-2-4-13-28(26)36)30-19-18-23(37-29-14-6-8-16-33(29)51-44(30)37)22-17-20-34-31(21-22)24-9-5-7-15-32(24)50-34/h1-21,45-49H
InChIKeyYOWZHVHZPZQTGC-UHFFFAOYSA-N
XLogP11.32
TPSA127.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.69
LogP ≤ 511.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
CID 165169659
6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 160775990
12-(10-dibenzofuran-2-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 122426682
9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163557870
4-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyldibenzofuran;2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;1-phenyl-4-(10-phenylanthracen-9-yl)dibenzofuran;4-phenyl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 159810886
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163829940
6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 163477678
1-dibenzofuran-4-yl-4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;1-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;1-dibenzofuran-4-yl-4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-dibenzofuran-1-yl-4-(10-phenylanthracen-9-yl)dibenzofuran;1-dibenzofuran-2-yl-4-(10-phenylanthracen-9-yl)dibenzofuran;1-dibenzofuran-3-yl-4-(10-phenylanthracen-9-yl)dibenzofuran;1-dibenzofuran-4-yl-4-(10-phenylanthracen-9-yl)dibenzofuran;4-dibenzofuran-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-dibenzofuran-4-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-dibenzofuran-4-yl-4-[4-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]dibenzofuran
CID 162076343
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
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 171447225

Frequently Asked Questions

What is the IUPAC name of 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 146650073) is 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4c3oc3ccccc34)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is YOWZHVHZPZQTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O7/c45-39-38(40(46)42(48)43(49)41(39)47)36-27-12-3-1-10-25(27)35(26-11-2-4-13-28(26)36)30-19-18-23(37-29-14-6-8-16-33(29)51-44(30)37)22-17-20-34-31(21-22)24-9-5-7-15-32(24)50-34/h1-21,45-49H.
What are the key properties of 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 666.69 g/mol, XLogP of 11.32, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 146650073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).