2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline

C21H12F3N3 — CID 159585735

IUPAC2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESFC(F)(F)c1ccc(C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1
InChIInChI=1S/C21H12F3N3/c22-21(23,24)13-7-5-12(6-8-13)17-11-16-14-3-1-9-25-19(14)20-15(18(16)27-17)4-2-10-26-20/h1-10H,11H2
InChIKeyUHAISEOYXYBOKY-UHFFFAOYSA-N
MW363.34 g/mol
LogP5.48
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline

2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline (PubChem CID 159585735) has the molecular formula C21H12F3N3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline
PubChem CID159585735
Molecular FormulaC21H12F3N3
Molecular Weight363.34 g/mol
Exact Mass363.10
IUPAC Name2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESFC(F)(F)c1ccc(C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1
InChIInChI=1S/C21H12F3N3/c22-21(23,24)13-7-5-12(6-8-13)17-11-16-14-3-1-9-25-19(14)20-15(18(16)27-17)4-2-10-26-20/h1-10H,11H2
InChIKeyUHAISEOYXYBOKY-UHFFFAOYSA-N
XLogP5.48
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.34
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline
CID 159031768
2-[3,5-bis(3H-pyrrolo[3,2-f][1,7]phenanthrolin-2-yl)phenyl]-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803374
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 160807546
6-[4-(trifluoromethyl)phenyl]pyrido[2,3-c][1,8]naphthyridine
CID 162534915
2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 157451261
2-(9,9-dimethylfluoren-2-yl)-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803381
2-[5-(3H-pyrrolo[3,2-f][1,7]phenanthrolin-2-yl)anthracen-1-yl]-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803383
3-[4-(trifluoromethyl)phenyl]-4H-isoquinolin-1-one
CID 69179510
5-(chloromethyl)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrole
CID 159221024
(3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol
CID 169259312
N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
CID 169259248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline (CID 159585735) is 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline is FC(F)(F)c1ccc(C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The InChIKey is UHAISEOYXYBOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3/c22-21(23,24)13-7-5-12(6-8-13)17-11-16-14-3-1-9-25-19(14)20-15(18(16)27-17)4-2-10-26-20/h1-10H,11H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline?
2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline has a molecular weight of 363.34 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 159585735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).