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

C44H28O — CID 170249878

IUPAC3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc5oc6ccccc6c45)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H28O/c1-3-13-29(14-4-1)31-23-25-32(26-24-31)42-34-17-7-9-19-36(34)43(37-20-10-8-18-35(37)42)39-27-33(30-15-5-2-6-16-30)28-41-44(39)38-21-11-12-22-40(38)45-41/h1-28H
InChIKeyOOVGCHNITBKBKO-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

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

3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 170249878) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID170249878
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc5oc6ccccc6c45)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H28O/c1-3-13-29(14-4-1)31-23-25-32(26-24-31)42-34-17-7-9-19-36(34)43(37-20-10-8-18-35(37)42)39-27-33(30-15-5-2-6-16-30)28-41-44(39)38-21-11-12-22-40(38)45-41/h1-28H
InChIKeyOOVGCHNITBKBKO-UHFFFAOYSA-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 ≤ 500572.71
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'}

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Related Compounds

3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653941
CID 174009857
CID 174009857
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
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
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
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163829940

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 170249878) is 3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc5oc6ccccc6c45)c4ccccc34)cc2)cc1.
What is the InChIKey of 3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is OOVGCHNITBKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-3-13-29(14-4-1)31-23-25-32(26-24-31)42-34-17-7-9-19-36(34)43(37-20-10-8-18-35(37)42)39-27-33(30-15-5-2-6-16-30)28-41-44(39)38-21-11-12-22-40(38)45-41/h1-28H.
What are the key properties of 3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran?
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 572.71 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-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170249878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).