3-(3-triphenylen-2-ylphenyl)dibenzofuran

C36H22O — CID 118231138

IUPAC3-(3-triphenylen-2-ylphenyl)dibenzofuran
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C36H22O/c1-2-12-29-27(10-1)28-11-3-4-13-30(28)34-21-25(16-18-31(29)34)23-8-7-9-24(20-23)26-17-19-33-32-14-5-6-15-35(32)37-36(33)22-26/h1-22H
InChIKeyQTZYZWSCDDVEMW-UHFFFAOYSA-N
MW470.57 g/mol
LogP10.38
Rot. Bonds2

About 3-(3-triphenylen-2-ylphenyl)dibenzofuran

3-(3-triphenylen-2-ylphenyl)dibenzofuran (PubChem CID 118231138) has the molecular formula C36H22O and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-(3-triphenylen-2-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name3-(3-triphenylen-2-ylphenyl)dibenzofuran
PubChem CID118231138
Molecular FormulaC36H22O
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Name3-(3-triphenylen-2-ylphenyl)dibenzofuran
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C36H22O/c1-2-12-29-27(10-1)28-11-3-4-13-30(28)34-21-25(16-18-31(29)34)23-8-7-9-24(20-23)26-17-19-33-32-14-5-6-15-35(32)37-36(33)22-26/h1-22H
InChIKeyQTZYZWSCDDVEMW-UHFFFAOYSA-N
XLogP10.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(3-triphenylen-2-ylphenyl)phenyl]-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 163594432
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
3-[10-[3-[3-[10-(10-dibenzofuran-3-ylanthracen-9-yl)phenanthren-3-yl]phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170261010
3-(3-methylphenyl)dibenzofuran
CID 70924364

Frequently Asked Questions

What is the IUPAC name of 3-(3-triphenylen-2-ylphenyl)dibenzofuran?
The IUPAC name of 3-(3-triphenylen-2-ylphenyl)dibenzofuran (CID 118231138) is 3-(3-triphenylen-2-ylphenyl)dibenzofuran.
What is the SMILES notation for 3-(3-triphenylen-2-ylphenyl)dibenzofuran?
The canonical SMILES for 3-(3-triphenylen-2-ylphenyl)dibenzofuran is c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 3-(3-triphenylen-2-ylphenyl)dibenzofuran?
The InChIKey is QTZYZWSCDDVEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22O/c1-2-12-29-27(10-1)28-11-3-4-13-30(28)34-21-25(16-18-31(29)34)23-8-7-9-24(20-23)26-17-19-33-32-14-5-6-15-35(32)37-36(33)22-26/h1-22H.
What are the key properties of 3-(3-triphenylen-2-ylphenyl)dibenzofuran?
3-(3-triphenylen-2-ylphenyl)dibenzofuran has a molecular weight of 470.57 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-triphenylen-2-ylphenyl)dibenzofuran is sourced from PubChem (CID 118231138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).