2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran

C56H34O — CID 171447225

IUPAC2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2-c2c3ccccc3c(-c3cccc4c5ccccc5c5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C56H34O/c1-2-16-35(17-3-1)37-27-14-28-38(36-32-33-52-50(34-36)42-21-12-13-31-51(42)57-52)55(37)56-47-25-10-8-23-45(47)54(46-24-9-11-26-48(46)56)49-30-15-29-44-41-19-5-4-18-39(41)40-20-6-7-22-43(40)53(44)49/h1-34H
InChIKeyGAWJNCWOVOBQOL-UHFFFAOYSA-N
MW722.89 g/mol
LogP16.02
Rot. Bonds4

About 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran

2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 171447225) has the molecular formula C56H34O and a molecular weight of 722.89 g/mol. Its IUPAC name is 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID171447225
Molecular FormulaC56H34O
Molecular Weight722.89 g/mol
Exact Mass722.26
IUPAC Name2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2-c2c3ccccc3c(-c3cccc4c5ccccc5c5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C56H34O/c1-2-16-35(17-3-1)37-27-14-28-38(36-32-33-52-50(34-36)42-21-12-13-31-51(42)57-52)55(37)56-47-25-10-8-23-45(47)54(46-24-9-11-26-48(46)56)49-30-15-29-44-41-19-5-4-18-39(41)40-20-6-7-22-43(40)53(44)49/h1-34H
InChIKeyGAWJNCWOVOBQOL-UHFFFAOYSA-N
XLogP16.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
8-[10-(2,6-diphenylphenyl)anthracen-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 171447445
6-[10-(2,6-diphenylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171447365
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 58323116
1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
CID 165169659
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293

Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran (CID 171447225) is 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran is c1ccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2-c2c3ccccc3c(-c3cccc4c5ccccc5c5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is GAWJNCWOVOBQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O/c1-2-16-35(17-3-1)37-27-14-28-38(36-32-33-52-50(34-36)42-21-12-13-31-51(42)57-52)55(37)56-47-25-10-8-23-45(47)54(46-24-9-11-26-48(46)56)49-30-15-29-44-41-19-5-4-18-39(41)40-20-6-7-22-43(40)53(44)49/h1-34H.
What are the key properties of 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 722.89 g/mol, XLogP of 16.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 171447225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).