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

C44H28O6 — CID 163477678

IUPAC6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2ccc3oc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)cccc4c3c2)c(O)c1O
InChIInChI=1S/C44H28O6/c45-39-37(40(46)42(48)43(49)41(39)47)26-20-21-36-35(22-26)31-18-9-19-32(44(31)50-36)38-29-16-7-14-27(24-10-3-1-4-11-24)33(29)23-34-28(15-8-17-30(34)38)25-12-5-2-6-13-25/h1-23,45-49H
InChIKeyCBVRIXOVJDJPKE-UHFFFAOYSA-N
MW652.70 g/mol
LogP11.09
Rot. Bonds4

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

6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol (PubChem CID 163477678) has the molecular formula C44H28O6 and a molecular weight of 652.70 g/mol. Its IUPAC name is 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
PubChem CID163477678
Molecular FormulaC44H28O6
Molecular Weight652.70 g/mol
Exact Mass652.19
IUPAC Name6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2ccc3oc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)cccc4c3c2)c(O)c1O
InChIInChI=1S/C44H28O6/c45-39-37(40(46)42(48)43(49)41(39)47)26-20-21-36-35(22-26)31-18-9-19-32(44(31)50-36)38-29-16-7-14-27(24-10-3-1-4-11-24)33(29)23-34-28(15-8-17-30(34)38)25-12-5-2-6-13-25/h1-23,45-49H
InChIKeyCBVRIXOVJDJPKE-UHFFFAOYSA-N
XLogP11.09
TPSA114.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.70
LogP ≤ 511.09
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-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
6-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163666775
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163557870
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 160775990
1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 157264564
1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 164951971
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
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 146650073
2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-6-phenyldibenzofuran
CID 170663097

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol (CID 163477678) is 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2ccc3oc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)cccc4c3c2)c(O)c1O.
What is the InChIKey of 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is CBVRIXOVJDJPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O6/c45-39-37(40(46)42(48)43(49)41(39)47)26-20-21-36-35(22-26)31-18-9-19-32(44(31)50-36)38-29-16-7-14-27(24-10-3-1-4-11-24)33(29)23-34-28(15-8-17-30(34)38)25-12-5-2-6-13-25/h1-23,45-49H.
What are the key properties of 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol?
6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 652.70 g/mol, XLogP of 11.09, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 163477678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).