3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran

C44H28O — CID 170653941

IUPAC3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
SMILES[2H]c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccc([2H])cc5)cc5oc6ccccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C44H28O/c1-3-14-29(15-4-1)31-18-13-19-32(26-31)42-34-20-7-9-22-36(34)43(37-23-10-8-21-35(37)42)39-27-33(30-16-5-2-6-17-30)28-41-44(39)38-24-11-12-25-40(38)45-41/h1-28H/i1D,2D
InChIKeyLERNYZNHHGVSEI-QDNHWIQGSA-N
MW574.72 g/mol
LogP12.56
Rot. Bonds4

About 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran

3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 170653941) has the molecular formula C44H28O and a molecular weight of 574.72 g/mol. Its IUPAC name is 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID170653941
Molecular FormulaC44H28O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
SMILES[2H]c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccc([2H])cc5)cc5oc6ccccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C44H28O/c1-3-14-29(15-4-1)31-18-13-19-32(26-31)42-34-20-7-9-22-36(34)43(37-23-10-8-21-35(37)42)39-27-33(30-16-5-2-6-17-30)28-41-44(39)38-24-11-12-25-40(38)45-41/h1-28H/i1D,2D
InChIKeyLERNYZNHHGVSEI-QDNHWIQGSA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
3-(4-deuteriophenyl)-1-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 170653916
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;3-naphthalen-2-yl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran;4-phenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160759969
2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran
CID 167306884
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-[10-[3,4-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662053
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653669
1-(10-naphthalen-2-ylanthracen-9-yl)-3-phenyldibenzofuran;1-(10-naphthalen-2-ylanthracen-9-yl)-4-phenyldibenzofuran;3-naphthalen-2-yl-1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 158475417

Frequently Asked Questions

What is the IUPAC name of 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran (CID 170653941) is 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran is [2H]c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccc([2H])cc5)cc5oc6ccccc6c45)c4ccccc34)c2)cc1.
What is the InChIKey of 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is LERNYZNHHGVSEI-QDNHWIQGSA-N. The full InChI is InChI=1S/C44H28O/c1-3-14-29(15-4-1)31-18-13-19-32(26-31)42-34-20-7-9-22-36(34)43(37-23-10-8-21-35(37)42)39-27-33(30-16-5-2-6-17-30)28-41-44(39)38-24-11-12-25-40(38)45-41/h1-28H/i1D,2D.
What are the key properties of 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran?
3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran has a molecular weight of 574.72 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170653941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).