8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran

C42H25F3O — CID 166706186

IUPAC8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran
SMILESCc1c2ccccc2c(-c2ccc3oc4cccc(-c5c6ccccc6c(C(F)(F)F)c6ccccc56)c4c3c2)c2ccccc12
InChIInChI=1S/C42H25F3O/c1-24-26-11-2-4-13-28(26)38(29-14-5-3-12-27(24)29)25-21-22-36-35(23-25)40-34(19-10-20-37(40)46-36)39-30-15-6-8-17-32(30)41(42(43,44)45)33-18-9-7-16-31(33)39/h2-23H,1H3
InChIKeyOYJLPSIOTHITOD-UHFFFAOYSA-N
MW602.66 g/mol
LogP12.86
Rot. Bonds2

About 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran

8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran (PubChem CID 166706186) has the molecular formula C42H25F3O and a molecular weight of 602.66 g/mol. Its IUPAC name is 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran
PubChem CID166706186
Molecular FormulaC42H25F3O
Molecular Weight602.66 g/mol
Exact Mass602.19
IUPAC Name8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran
SMILESCc1c2ccccc2c(-c2ccc3oc4cccc(-c5c6ccccc6c(C(F)(F)F)c6ccccc56)c4c3c2)c2ccccc12
InChIInChI=1S/C42H25F3O/c1-24-26-11-2-4-13-28(26)38(29-14-5-3-12-27(24)29)25-21-22-36-35(23-25)40-34(19-10-20-37(40)46-36)39-30-15-6-8-17-32(30)41(42(43,44)45)33-18-9-7-16-31(33)39/h2-23H,1H3
InChIKeyOYJLPSIOTHITOD-UHFFFAOYSA-N
XLogP12.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.66
LogP ≤ 512.86
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

8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 161049408
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
8-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170663275
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
8-(2,3,4,5,6-pentadeuteriophenyl)-1-(1,2,3,4-tetradeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 167379006

Frequently Asked Questions

What is the IUPAC name of 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran (CID 166706186) is 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran is Cc1c2ccccc2c(-c2ccc3oc4cccc(-c5c6ccccc6c(C(F)(F)F)c6ccccc56)c4c3c2)c2ccccc12.
What is the InChIKey of 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran?
The InChIKey is OYJLPSIOTHITOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F3O/c1-24-26-11-2-4-13-28(26)38(29-14-5-3-12-27(24)29)25-21-22-36-35(23-25)40-34(19-10-20-37(40)46-36)39-30-15-6-8-17-32(30)41(42(43,44)45)33-18-9-7-16-31(33)39/h2-23H,1H3.
What are the key properties of 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran?
8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran has a molecular weight of 602.66 g/mol, XLogP of 12.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 166706186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).