2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol

C33H22O4 — CID 163620543

IUPAC2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol
SMILESCc1c(O)cc(O)c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1O
InChIInChI=1S/C33H22O4/c1-18-26(34)17-27(35)32(33(18)36)31-23-11-4-2-9-21(23)30(22-10-3-5-12-24(22)31)19-14-15-29-25(16-19)20-8-6-7-13-28(20)37-29/h2-17,34-36H,1H3
InChIKeyBYTGCUAOQOSZAM-UHFFFAOYSA-N
MW482.54 g/mol
LogP8.65
Rot. Bonds2

About 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol

2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol (PubChem CID 163620543) has the molecular formula C33H22O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol.

Molecular Properties

Compound Name2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol
PubChem CID163620543
Molecular FormulaC33H22O4
Molecular Weight482.54 g/mol
Exact Mass482.15
IUPAC Name2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol
SMILESCc1c(O)cc(O)c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1O
InChIInChI=1S/C33H22O4/c1-18-26(34)17-27(35)32(33(18)36)31-23-11-4-2-9-21(23)30(22-10-3-5-12-24(22)31)19-14-15-29-25(16-19)20-8-6-7-13-28(20)37-29/h2-17,34-36H,1H3
InChIKeyBYTGCUAOQOSZAM-UHFFFAOYSA-N
XLogP8.65
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 58.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 160775990
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 170212397
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
5-(10-dibenzofuran-2-ylanthracen-9-yl)-1-azahexacyclo[10.6.1.02,7.03,17.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene
CID 171716863
2-[10-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)anthracen-9-yl]dibenzofuran
CID 167411828
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58194595

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol?
The IUPAC name of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol (CID 163620543) is 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol.
What is the SMILES notation for 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol?
The canonical SMILES for 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol is Cc1c(O)cc(O)c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1O.
What is the InChIKey of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol?
The InChIKey is BYTGCUAOQOSZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O4/c1-18-26(34)17-27(35)32(33(18)36)31-23-11-4-2-9-21(23)30(22-10-3-5-12-24(22)31)19-14-15-29-25(16-19)20-8-6-7-13-28(20)37-29/h2-17,34-36H,1H3.
What are the key properties of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol?
2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol has a molecular weight of 482.54 g/mol, XLogP of 8.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol is sourced from PubChem (CID 163620543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).