8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline

C28H15F4N — CID 177091467

IUPAC8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
SMILESFc1ccc2c(ccc3c4ccnc(-c5cc(C(F)(F)F)c6ccccc6c5)c4ccc23)c1
InChIInChI=1S/C28H15F4N/c29-19-6-8-20-17(14-19)5-7-23-22(20)9-10-25-24(23)11-12-33-27(25)18-13-16-3-1-2-4-21(16)26(15-18)28(30,31)32/h1-15H
InChIKeyBDIICBLPLBXLJC-UHFFFAOYSA-N
MW441.43 g/mol
LogP8.52
Rot. Bonds1

About 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline

8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline (PubChem CID 177091467) has the molecular formula C28H15F4N and a molecular weight of 441.43 g/mol. Its IUPAC name is 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline.

Molecular Properties

Compound Name8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
PubChem CID177091467
Molecular FormulaC28H15F4N
Molecular Weight441.43 g/mol
Exact Mass441.11
IUPAC Name8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
SMILESFc1ccc2c(ccc3c4ccnc(-c5cc(C(F)(F)F)c6ccccc6c5)c4ccc23)c1
InChIInChI=1S/C28H15F4N/c29-19-6-8-20-17(14-19)5-7-23-22(20)9-10-25-24(23)11-12-33-27(25)18-13-16-3-1-2-4-21(16)26(15-18)28(30,31)32/h1-15H
InChIKeyBDIICBLPLBXLJC-UHFFFAOYSA-N
XLogP8.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-(4-methylphenyl)-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
CID 177091528
trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane
CID 177091525
4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline
CID 162482672
4-(3,5-dimethylphenyl)-8-(trifluoromethyl)benzo[f]isoquinoline
CID 154589438
4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
4-[4-(difluoromethyl)naphthalen-2-yl]-8-methylbenzo[f]isoquinoline
CID 170520724
1-(4-tert-butylnaphthalen-2-yl)-6-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)isoquinoline
CID 172542924
6-(3-tert-butyl-5-methylphenyl)-7-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15,17,19,21-undecaene
CID 171417966
4-(4-tert-butylnaphthalen-2-yl)-8-(2,6-difluorophenyl)benzo[c][2,7]naphthyridine
CID 176751480
7-(4-tert-butylnaphthalen-2-yl)-4-(2,2-dimethylpropyl)-1,8-phenanthroline
CID 156667246
3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene
CID 173319096

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline?
The IUPAC name of 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline (CID 177091467) is 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline.
What is the SMILES notation for 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline?
The canonical SMILES for 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline is Fc1ccc2c(ccc3c4ccnc(-c5cc(C(F)(F)F)c6ccccc6c5)c4ccc23)c1.
What is the InChIKey of 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline?
The InChIKey is BDIICBLPLBXLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15F4N/c29-19-6-8-20-17(14-19)5-7-23-22(20)9-10-25-24(23)11-12-33-27(25)18-13-16-3-1-2-4-21(16)26(15-18)28(30,31)32/h1-15H.
What are the key properties of 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline?
8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline has a molecular weight of 441.43 g/mol, XLogP of 8.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline is sourced from PubChem (CID 177091467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).