2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran

C32H18F2O — CID 170374741

IUPAC2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(F)c1
InChIInChI=1S/C32H18F2O/c33-20-14-15-26(28(34)18-20)32-24-10-3-1-8-22(24)31(23-9-2-4-11-25(23)32)19-13-16-30-27(17-19)21-7-5-6-12-29(21)35-30/h1-18H
InChIKeyWDHWLNXUVAXQKP-UHFFFAOYSA-N
MW456.49 g/mol
LogP9.50
Rot. Bonds2

About 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran

2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran (PubChem CID 170374741) has the molecular formula C32H18F2O and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran
PubChem CID170374741
Molecular FormulaC32H18F2O
Molecular Weight456.49 g/mol
Exact Mass456.13
IUPAC Name2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(F)c1
InChIInChI=1S/C32H18F2O/c33-20-14-15-26(28(34)18-20)32-24-10-3-1-8-22(24)31(23-9-2-4-11-25(23)32)19-13-16-30-27(17-19)21-7-5-6-12-29(21)35-30/h1-18H
InChIKeyWDHWLNXUVAXQKP-UHFFFAOYSA-N
XLogP9.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
CID 170375637
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
CID 87425893
9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
CID 87425597
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 122415794
12-(10-dibenzofuran-2-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 122426682
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
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran (CID 170374741) is 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran is Fc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(F)c1.
What is the InChIKey of 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is WDHWLNXUVAXQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F2O/c33-20-14-15-26(28(34)18-20)32-24-10-3-1-8-22(24)31(23-9-2-4-11-25(23)32)19-13-16-30-27(17-19)21-7-5-6-12-29(21)35-30/h1-18H.
What are the key properties of 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran?
2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 456.49 g/mol, XLogP of 9.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170374741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).