9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene

C29H15ClF8 — CID 177054203

IUPAC9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene
SMILESFc1cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)cc(F)c1CCl
InChIInChI=1S/C29H15ClF8/c30-14-23-24(31)11-16(12-25(23)32)27-21-7-3-1-5-19(21)26(20-6-2-4-8-22(20)27)15-9-17(28(33,34)35)13-18(10-15)29(36,37)38/h1-13H,14H2
InChIKeyPJLJPUXSFSEDDZ-UHFFFAOYSA-N
MW550.88 g/mol
LogP10.38
Rot. Bonds3

About 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene

9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene (PubChem CID 177054203) has the molecular formula C29H15ClF8 and a molecular weight of 550.88 g/mol. Its IUPAC name is 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene.

Molecular Properties

Compound Name9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene
PubChem CID177054203
Molecular FormulaC29H15ClF8
Molecular Weight550.88 g/mol
Exact Mass550.07
IUPAC Name9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene
SMILESFc1cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)cc(F)c1CCl
InChIInChI=1S/C29H15ClF8/c30-14-23-24(31)11-16(12-25(23)32)27-21-7-3-1-5-19(21)26(20-6-2-4-8-22(20)27)15-9-17(28(33,34)35)13-18(10-15)29(36,37)38/h1-13H,14H2
InChIKeyPJLJPUXSFSEDDZ-UHFFFAOYSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.88
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]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

1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
9,10-bis(3,5-difluorophenyl)anthracene;9-[3,5-bis(trifluoromethyl)phenyl]-10-(3,5-dimethylphenyl)anthracene;2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2,6-ditert-butyl-9,10-bis(4-phenylphenyl)anthracene
CID 158406576
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58163316
2-methyl-7-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]pyrene
CID 167155102
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
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene
CID 118819191
1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine
CID 132519351
2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]dibenzothiophene
CID 171056317
1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134622327
4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine
CID 162717087

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene?
The IUPAC name of 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene (CID 177054203) is 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene.
What is the SMILES notation for 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene?
The canonical SMILES for 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene is Fc1cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)cc(F)c1CCl.
What is the InChIKey of 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene?
The InChIKey is PJLJPUXSFSEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15ClF8/c30-14-23-24(31)11-16(12-25(23)32)27-21-7-3-1-5-19(21)26(20-6-2-4-8-22(20)27)15-9-17(28(33,34)35)13-18(10-15)29(36,37)38/h1-13H,14H2.
What are the key properties of 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene?
9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene has a molecular weight of 550.88 g/mol, XLogP of 10.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(trifluoromethyl)phenyl]-10-[4-(chloromethyl)-3,5-difluorophenyl]anthracene is sourced from PubChem (CID 177054203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).