3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran

C56H34O2 — CID 167306847

IUPAC3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5cccc6oc7ccccc7c56)cc5oc6ccccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C56H34O2/c1-3-16-35(17-4-1)37-30-38(36-18-5-2-6-19-36)32-40(31-37)53-42-20-7-9-22-44(42)54(45-23-10-8-21-43(45)53)48-33-39(34-52-56(48)47-25-12-14-28-50(47)58-52)41-26-15-29-51-55(41)46-24-11-13-27-49(46)57-51/h1-34H
InChIKeyHYTPBHRVRQOLMM-UHFFFAOYSA-N
MW738.89 g/mol
LogP16.13
Rot. Bonds5

About 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran

3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 167306847) has the molecular formula C56H34O2 and a molecular weight of 738.89 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID167306847
Molecular FormulaC56H34O2
Molecular Weight738.89 g/mol
Exact Mass738.26
IUPAC Name3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5cccc6oc7ccccc7c56)cc5oc6ccccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C56H34O2/c1-3-16-35(17-4-1)37-30-38(36-18-5-2-6-19-36)32-40(31-37)53-42-20-7-9-22-44(42)54(45-23-10-8-21-43(45)53)48-33-39(34-52-56(48)47-25-12-14-28-50(47)58-52)41-26-15-29-51-55(41)46-24-11-13-27-49(46)57-51/h1-34H
InChIKeyHYTPBHRVRQOLMM-UHFFFAOYSA-N
XLogP16.13
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653941
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-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
1-(3,5-diphenylphenyl)-9-(10-phenylanthracen-9-yl)dibenzofuran;7-(2,5-diphenylphenyl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;1-(10-phenylanthracen-9-yl)-8-[4-(4-phenylphenyl)phenyl]dibenzofuran
CID 158423498
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
5-[9-[3-phenyl-5-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]naphtho[2,1-b][1]benzofuran
CID 167419865

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran (CID 167306847) is 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5cccc6oc7ccccc7c56)cc5oc6ccccc6c45)c4ccccc34)c2)cc1.
What is the InChIKey of 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is HYTPBHRVRQOLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O2/c1-3-16-35(17-4-1)37-30-38(36-18-5-2-6-19-36)32-40(31-37)53-42-20-7-9-22-44(42)54(45-23-10-8-21-43(45)53)48-33-39(34-52-56(48)47-25-12-14-28-50(47)58-52)41-26-15-29-51-55(41)46-24-11-13-27-49(46)57-51/h1-34H.
What are the key properties of 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran?
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 738.89 g/mol, XLogP of 16.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167306847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).