2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene

C53H33F3 — CID 89025408

IUPAC2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5cc(-c6ccccc6)ccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C53H33F3/c54-53(55,56)40-30-27-38(28-31-40)50-43-19-9-7-17-41(43)49(42-18-8-10-20-44(42)50)36-23-25-37(26-24-36)51-45-21-11-12-22-46(45)52(35-15-5-2-6-16-35)48-33-39(29-32-47(48)51)34-13-3-1-4-14-34/h1-33H
InChIKeyMUWSDJIWUDKCDB-UHFFFAOYSA-N
MW726.84 g/mol
LogP15.65
Rot. Bonds5

About 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene

2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene (PubChem CID 89025408) has the molecular formula C53H33F3 and a molecular weight of 726.84 g/mol. Its IUPAC name is 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene.

Molecular Properties

Compound Name2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
PubChem CID89025408
Molecular FormulaC53H33F3
Molecular Weight726.84 g/mol
Exact Mass726.25
IUPAC Name2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5cc(-c6ccccc6)ccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C53H33F3/c54-53(55,56)40-30-27-38(28-31-40)50-43-19-9-7-17-41(43)49(42-18-8-10-20-44(42)50)36-23-25-37(26-24-36)51-45-21-11-12-22-46(45)52(35-15-5-2-6-16-35)48-33-39(29-32-47(48)51)34-13-3-1-4-14-34/h1-33H
InChIKeyMUWSDJIWUDKCDB-UHFFFAOYSA-N
XLogP15.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
CID 23542883
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene;2,8-diphenyl-5,6,11,12-tetrakis(4-phenylphenyl)tetracene
CID 161431983
9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
CID 153332778
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,6,9,10-tetraphenylanthracene
CID 58645118
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122205192
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene
CID 160705810
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947

Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene?
The IUPAC name of 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene (CID 89025408) is 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene.
What is the SMILES notation for 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene?
The canonical SMILES for 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene is FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5cc(-c6ccccc6)ccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene?
The InChIKey is MUWSDJIWUDKCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33F3/c54-53(55,56)40-30-27-38(28-31-40)50-43-19-9-7-17-41(43)49(42-18-8-10-20-44(42)50)36-23-25-37(26-24-36)51-45-21-11-12-22-46(45)52(35-15-5-2-6-16-35)48-33-39(29-32-47(48)51)34-13-3-1-4-14-34/h1-33H.
What are the key properties of 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene?
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene has a molecular weight of 726.84 g/mol, XLogP of 15.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene is sourced from PubChem (CID 89025408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).