1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol

C28H18O4 — CID 132583689

IUPAC1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol
SMILESOc1c(O)c(-c2ccccc2)c2c(ccc3c4cccc(O)c4oc32)c1-c1ccccc1
InChIInChI=1S/C28H18O4/c29-21-13-7-12-18-19-14-15-20-22(16-8-3-1-4-9-16)25(30)26(31)23(17-10-5-2-6-11-17)24(20)28(19)32-27(18)21/h1-15,29-31H
InChIKeyVWPNQHUUJYFTFE-UHFFFAOYSA-N
MW418.45 g/mol
LogP7.19
Rot. Bonds2

About 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol

1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol (PubChem CID 132583689) has the molecular formula C28H18O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol.

Molecular Properties

Compound Name1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol
PubChem CID132583689
Molecular FormulaC28H18O4
Molecular Weight418.45 g/mol
Exact Mass418.12
IUPAC Name1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol
SMILESOc1c(O)c(-c2ccccc2)c2c(ccc3c4cccc(O)c4oc32)c1-c1ccccc1
InChIInChI=1S/C28H18O4/c29-21-13-7-12-18-19-14-15-20-22(16-8-3-1-4-9-16)25(30)26(31)23(17-10-5-2-6-11-17)24(20)28(19)32-27(18)21/h1-15,29-31H
InChIKeyVWPNQHUUJYFTFE-UHFFFAOYSA-N
XLogP7.19
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 57.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,8-dihydroxy-3-phenylchromen-2-one
CID 54721333
5-(4,5-dihydroxy-2-methoxy-3,6-diphenylphenyl)-7,10-diphenylnaphtho[1,2-b][1]benzofuran-1,8,9-triol
CID 139589634
8-(2,3,4,5,6-pentahydroxyphenyl)-3-[10-(2,3,5,6-tetrahydroxy-4-phenylphenyl)anthracen-9-yl]dibenzofuran-1,2,4,6,7,9-hexol
CID 163429697
6-(2,3,6,7-tetrahydroxy-10-phenylanthracen-9-yl)dibenzofuran-1,2,3,4,7,8,9-heptol
CID 163698610
7-[10-(2,3,6-trihydroxy-4,5-diphenylphenyl)anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
CID 161266318
4-(2,3,4,5,6-pentahydroxyphenyl)-21-[4-[(3,10,11,12-tetrahydroxy-4,21-diphenyl-27-oxaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaen-5-yl)oxy]phenyl]-27-oxaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene-3,5,10,11,12-pentol
CID 163743088
2,4,6,8-tetraphenyldibenzofuran-1-ol
CID 101377817
1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176745098
9-chloro-2,3-diphenylphenanthro[9,10-b]furan
CID 155105838
6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan
CID 155105827
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893
9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole
CID 59147591

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol?
The IUPAC name of 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol (CID 132583689) is 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol.
What is the SMILES notation for 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol?
The canonical SMILES for 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol is Oc1c(O)c(-c2ccccc2)c2c(ccc3c4cccc(O)c4oc32)c1-c1ccccc1.
What is the InChIKey of 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol?
The InChIKey is VWPNQHUUJYFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O4/c29-21-13-7-12-18-19-14-15-20-22(16-8-3-1-4-9-16)25(30)26(31)23(17-10-5-2-6-11-17)24(20)28(19)32-27(18)21/h1-15,29-31H.
What are the key properties of 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol?
1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol has a molecular weight of 418.45 g/mol, XLogP of 7.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylnaphtho[1,2-b][1]benzofuran-2,3,10-triol is sourced from PubChem (CID 132583689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).