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

C38H24O6 — CID 162140725

IUPAC6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)c3ccccc23)c(O)c1O
InChIInChI=1S/C38H24O6/c39-34-33(35(40)37(42)38(43)36(34)41)32-24-14-6-4-12-22(24)30(23-13-5-7-15-25(23)32)27-18-21(20-10-2-1-3-11-20)19-29-31(27)26-16-8-9-17-28(26)44-29/h1-19,39-43H
InChIKeyZJWUOIGHKUERBT-UHFFFAOYSA-N
MW576.60 g/mol
LogP9.42
Rot. Bonds3

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

6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 162140725) has the molecular formula C38H24O6 and a molecular weight of 576.60 g/mol. Its IUPAC name is 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID162140725
Molecular FormulaC38H24O6
Molecular Weight576.60 g/mol
Exact Mass576.16
IUPAC Name6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)c3ccccc23)c(O)c1O
InChIInChI=1S/C38H24O6/c39-34-33(35(40)37(42)38(43)36(34)41)32-24-14-6-4-12-22(24)30(23-13-5-7-15-25(23)32)27-18-21(20-10-2-1-3-11-20)19-29-31(27)26-16-8-9-17-28(26)44-29/h1-19,39-43H
InChIKeyZJWUOIGHKUERBT-UHFFFAOYSA-N
XLogP9.42
TPSA114.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.60
LogP ≤ 59.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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'}

Analyze 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol with MolForge

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Related Compounds

6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163829940
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
CID 174009857
CID 174009857
CID 174138536
CID 174138536
6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 167074603
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163891273
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653941
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 146650073
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804

Frequently Asked Questions

What is the IUPAC name of 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 162140725) is 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is ZJWUOIGHKUERBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O6/c39-34-33(35(40)37(42)38(43)36(34)41)32-24-14-6-4-12-22(24)30(23-13-5-7-15-25(23)32)27-18-21(20-10-2-1-3-11-20)19-29-31(27)26-16-8-9-17-28(26)44-29/h1-19,39-43H.
What are the key properties of 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 576.60 g/mol, XLogP of 9.42, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 162140725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).