3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran

C104H62F3NO2 — CID 158465711

IUPAC3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)c34)c3ccccc23)cc1
InChIInChI=1S/C53H31F3O.C51H31NO/c54-53(55,56)34-30-28-33(29-31-34)48-35-16-4-8-20-39(35)49(40-21-9-5-17-36(40)48)43-24-13-27-46-51(43)45-26-12-25-44(52(45)57-46)50-41-22-10-6-18-37(41)47(32-14-2-1-3-15-32)38-19-7-11-23-42(38)50;1-2-15-32(16-3-1)46-34-18-4-10-24-40(34)49(41-25-11-5-19-35(41)46)43-27-12-28-44-50-42(26-13-29-45(50)53-51(43)44)48-38-22-8-6-20-36(38)47(33-17-14-30-52-31-33)37-21-7-9-23-39(37)48/h1-31H;1-31H
InChIKeyHFSMBYOOUJVQOM-UHFFFAOYSA-N
MW1414.64 g/mol
LogP30.15
Rot. Bonds8

About 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran

3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 158465711) has the molecular formula C104H62F3NO2 and a molecular weight of 1414.64 g/mol. Its IUPAC name is 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID158465711
Molecular FormulaC104H62F3NO2
Molecular Weight1414.64 g/mol
Exact Mass1413.47
IUPAC Name3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)c34)c3ccccc23)cc1
InChIInChI=1S/C53H31F3O.C51H31NO/c54-53(55,56)34-30-28-33(29-31-34)48-35-16-4-8-20-39(35)49(40-21-9-5-17-36(40)48)43-24-13-27-46-51(43)45-26-12-25-44(52(45)57-46)50-41-22-10-6-18-37(41)47(32-14-2-1-3-15-32)38-19-7-11-23-42(38)50;1-2-15-32(16-3-1)46-34-18-4-10-24-40(34)49(41-25-11-5-19-35(41)46)43-27-12-28-44-50-42(26-13-29-45(50)53-51(43)44)48-38-22-8-6-20-36(38)47(33-17-14-30-52-31-33)37-21-7-9-23-39(37)48/h1-31H;1-31H
InChIKeyHFSMBYOOUJVQOM-UHFFFAOYSA-N
XLogP30.15
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001414.64
LogP ≤ 530.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran (CID 158465711) is 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran is FC(F)(F)c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)c34)c3ccccc23)cc1.
What is the InChIKey of 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is HFSMBYOOUJVQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31F3O.C51H31NO/c54-53(55,56)34-30-28-33(29-31-34)48-35-16-4-8-20-39(35)49(40-21-9-5-17-36(40)48)43-24-13-27-46-51(43)45-26-12-25-44(52(45)57-46)50-41-22-10-6-18-37(41)47(32-14-2-1-3-15-32)38-19-7-11-23-42(38)50;1-2-15-32(16-3-1)46-34-18-4-10-24-40(34)49(41-25-11-5-19-35(41)46)43-27-12-28-44-50-42(26-13-29-45(50)53-51(43)44)48-38-22-8-6-20-36(38)47(33-17-14-30-52-31-33)37-21-7-9-23-39(37)48/h1-31H;1-31H.
What are the key properties of 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran?
3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran has a molecular weight of 1414.64 g/mol, XLogP of 30.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 158465711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).