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

C42H26O6 — CID 167074603

IUPAC6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4cccc5ccccc45)cc4oc5ccccc5c34)c3ccccc23)c(O)c1O
InChIInChI=1S/C42H26O6/c43-38-37(39(44)41(46)42(47)40(38)45)36-28-15-5-3-13-26(28)34(27-14-4-6-16-29(27)36)31-20-23(25-18-9-11-22-10-1-2-12-24(22)25)21-33-35(31)30-17-7-8-19-32(30)48-33/h1-21,43-47H
InChIKeyYKTOZFFAQDEMFR-UHFFFAOYSA-N
MW626.66 g/mol
LogP10.57
Rot. Bonds3

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

6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 167074603) has the molecular formula C42H26O6 and a molecular weight of 626.66 g/mol. Its IUPAC name is 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID167074603
Molecular FormulaC42H26O6
Molecular Weight626.66 g/mol
Exact Mass626.17
IUPAC Name6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4cccc5ccccc45)cc4oc5ccccc5c34)c3ccccc23)c(O)c1O
InChIInChI=1S/C42H26O6/c43-38-37(39(44)41(46)42(47)40(38)45)36-28-15-5-3-13-26(28)34(27-14-4-6-16-29(27)36)31-20-23(25-18-9-11-22-10-1-2-12-24(22)25)21-33-35(31)30-17-7-8-19-32(30)48-33/h1-21,43-47H
InChIKeyYKTOZFFAQDEMFR-UHFFFAOYSA-N
XLogP10.57
TPSA114.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.66
LogP ≤ 510.57
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'}

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Related Compounds

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
CID 174138536
CID 174138536
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 177112488
6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163891273
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
CID 174009857
CID 174009857
3-dibenzothiophen-1-yl-1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 167306846

Frequently Asked Questions

What is the IUPAC name of 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 167074603) is 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3cc(-c4cccc5ccccc45)cc4oc5ccccc5c34)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is YKTOZFFAQDEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O6/c43-38-37(39(44)41(46)42(47)40(38)45)36-28-15-5-3-13-26(28)34(27-14-4-6-16-29(27)36)31-20-23(25-18-9-11-22-10-1-2-12-24(22)25)21-33-35(31)30-17-7-8-19-32(30)48-33/h1-21,43-47H.
What are the key properties of 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 626.66 g/mol, XLogP of 10.57, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 167074603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).