7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene

C56H35F3 — CID 170391397

IUPAC7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cc6ccccc6c6ccccc56)c4cc3c2)cc1
InChIInChI=1S/C56H35F3/c1-34-21-23-35(24-22-34)37-25-26-45-41(27-37)33-52-51(50-29-38-11-2-4-15-43(38)46-17-6-8-19-48(46)50)31-40(36-13-10-14-42(28-36)56(57,58)59)32-54(52)55(45)53-30-39-12-3-5-16-44(39)47-18-7-9-20-49(47)53/h2-33H,1H3
InChIKeyALKQDZKVCFITCW-UHFFFAOYSA-N
MW764.89 g/mol
LogP16.60
Rot. Bonds4

About 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene

7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene (PubChem CID 170391397) has the molecular formula C56H35F3 and a molecular weight of 764.89 g/mol. Its IUPAC name is 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene
PubChem CID170391397
Molecular FormulaC56H35F3
Molecular Weight764.89 g/mol
Exact Mass764.27
IUPAC Name7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cc6ccccc6c6ccccc56)c4cc3c2)cc1
InChIInChI=1S/C56H35F3/c1-34-21-23-35(24-22-34)37-25-26-45-41(27-37)33-52-51(50-29-38-11-2-4-15-43(38)46-17-6-8-19-48(46)50)31-40(36-13-10-14-42(28-36)56(57,58)59)32-54(52)55(45)53-30-39-12-3-5-16-44(39)47-18-7-9-20-49(47)53/h2-33H,1H3
InChIKeyALKQDZKVCFITCW-UHFFFAOYSA-N
XLogP16.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)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-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene
CID 159473624
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-naphthalen-2-ylanthracene;2-(4-methylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethoxy)phenyl]anthracene;9-(4-methylphenyl)-10-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene;10-naphthalen-2-yl-2-[4-(trifluoromethoxy)phenyl]-9-[3-(trifluoromethyl)phenyl]anthracene
CID 157153963
2,7-bis(trifluoromethyl)-9,10-bis[3-(trifluoromethyl)phenyl]phenanthrene;3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-methylphenyl)phenanthrene;9,10-diphenylphenanthrene;3,6,9,10-tetraphenylphenanthrene
CID 159629423
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 59793052
2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
CID 89225794
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene (CID 170391397) is 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene is Cc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cc6ccccc6c6ccccc56)c4cc3c2)cc1.
What is the InChIKey of 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene?
The InChIKey is ALKQDZKVCFITCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35F3/c1-34-21-23-35(24-22-34)37-25-26-45-41(27-37)33-52-51(50-29-38-11-2-4-15-43(38)46-17-6-8-19-48(46)50)31-40(36-13-10-14-42(28-36)56(57,58)59)32-54(52)55(45)53-30-39-12-3-5-16-44(39)47-18-7-9-20-49(47)53/h2-33H,1H3.
What are the key properties of 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene?
7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene has a molecular weight of 764.89 g/mol, XLogP of 16.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 170391397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).