5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline

C27H15F6N — CID 59183616

IUPAC5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3cnccc23)cc1
InChIInChI=1S/C27H15F6N/c28-26(29,30)18-9-5-16(6-10-18)24-20-3-1-2-4-21(20)25(23-15-34-14-13-22(23)24)17-7-11-19(12-8-17)27(31,32)33/h1-15H
InChIKeySUSOLAPGLYBQOW-UHFFFAOYSA-N
MW467.41 g/mol
LogP8.76
Rot. Bonds2

About 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline

5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline (PubChem CID 59183616) has the molecular formula C27H15F6N and a molecular weight of 467.41 g/mol. Its IUPAC name is 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline
PubChem CID59183616
Molecular FormulaC27H15F6N
Molecular Weight467.41 g/mol
Exact Mass467.11
IUPAC Name5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3cnccc23)cc1
InChIInChI=1S/C27H15F6N/c28-26(29,30)18-9-5-16(6-10-18)24-20-3-1-2-4-21(20)25(23-15-34-14-13-22(23)24)17-7-11-19(12-8-17)27(31,32)33/h1-15H
InChIKeySUSOLAPGLYBQOW-UHFFFAOYSA-N
XLogP8.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.41
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline 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

5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
CID 59183594
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
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
1-[3,4-bis[4-(trifluoromethyl)phenyl]isoquinolin-1-yl]-3,4-bis[4-(trifluoromethyl)phenyl]isoquinoline
CID 169227849
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
5,10-di(pyridazin-4-yl)benzo[g]isoquinoline
CID 59183141
5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline
CID 59183666
5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
CID 59183810
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
9,20-bis[4-(trifluoromethyl)phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 46177256

Frequently Asked Questions

What is the IUPAC name of 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline?
The IUPAC name of 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline (CID 59183616) is 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline.
What is the SMILES notation for 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline?
The canonical SMILES for 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline is FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3cnccc23)cc1.
What is the InChIKey of 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline?
The InChIKey is SUSOLAPGLYBQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F6N/c28-26(29,30)18-9-5-16(6-10-18)24-20-3-1-2-4-21(20)25(23-15-34-14-13-22(23)24)17-7-11-19(12-8-17)27(31,32)33/h1-15H.
What are the key properties of 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline?
5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline has a molecular weight of 467.41 g/mol, XLogP of 8.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline is sourced from PubChem (CID 59183616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).