3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine

C24H14F3N — CID 71733892

IUPAC3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine
SMILESFC(F)(F)c1ccc(-c2cc3c4ccccc4c4ccccc4c3cn2)cc1
InChIInChI=1S/C24H14F3N/c25-24(26,27)16-11-9-15(10-12-16)23-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22(21)14-28-23/h1-14H
InChIKeyQEIJDCAEWQDSHD-UHFFFAOYSA-N
MW373.38 g/mol
LogP7.23
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine

3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine (PubChem CID 71733892) has the molecular formula C24H14F3N and a molecular weight of 373.38 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine
PubChem CID71733892
Molecular FormulaC24H14F3N
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine
SMILESFC(F)(F)c1ccc(-c2cc3c4ccccc4c4ccccc4c3cn2)cc1
InChIInChI=1S/C24H14F3N/c25-24(26,27)16-11-9-15(10-12-16)23-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22(21)14-28-23/h1-14H
InChIKeyQEIJDCAEWQDSHD-UHFFFAOYSA-N
XLogP7.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 57.23
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

2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
CID 59470271
3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
CID 59575272
3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575305
7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
CID 58224563
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-[4-(trifluoromethyl)phenyl]-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293774
5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
CID 66691557
2-naphthalen-2-yl-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293608
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
3-[3,5-bis(trifluoromethyl)phenyl]isoquinoline
CID 138972935

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine (CID 71733892) is 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine is FC(F)(F)c1ccc(-c2cc3c4ccccc4c4ccccc4c3cn2)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine?
The InChIKey is QEIJDCAEWQDSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N/c25-24(26,27)16-11-9-15(10-12-16)23-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22(21)14-28-23/h1-14H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine?
3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine has a molecular weight of 373.38 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine is sourced from PubChem (CID 71733892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).