5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine

C36H19F4N — CID 167155028

IUPAC5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine
SMILESFc1ccc2ccc3c(-c4c5ccccc5c(-c5ccc(C(F)(F)F)nc5)c5ccccc45)ccc4ccc1c2c43
InChIInChI=1S/C36H19F4N/c37-30-17-12-21-9-14-27-28(15-10-20-11-16-29(30)34(21)33(20)27)35-25-7-3-1-5-23(25)32(24-6-2-4-8-26(24)35)22-13-18-31(41-19-22)36(38,39)40/h1-19H
InChIKeyOKGSGDSHFUWZPB-UHFFFAOYSA-N
MW541.55 g/mol
LogP10.78
Rot. Bonds2

About 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine

5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine (PubChem CID 167155028) has the molecular formula C36H19F4N and a molecular weight of 541.55 g/mol. Its IUPAC name is 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine
PubChem CID167155028
Molecular FormulaC36H19F4N
Molecular Weight541.55 g/mol
Exact Mass541.15
IUPAC Name5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine
SMILESFc1ccc2ccc3c(-c4c5ccccc5c(-c5ccc(C(F)(F)F)nc5)c5ccccc45)ccc4ccc1c2c43
InChIInChI=1S/C36H19F4N/c37-30-17-12-21-9-14-27-28(15-10-20-11-16-29(30)34(21)33(20)27)35-25-7-3-1-5-23(25)32(24-6-2-4-8-26(24)35)22-13-18-31(41-19-22)36(38,39)40/h1-19H
InChIKeyOKGSGDSHFUWZPB-UHFFFAOYSA-N
XLogP10.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.55
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[10-[6-(4-tert-butylphenyl)pyren-1-yl]anthracen-9-yl]-2-(trifluoromethyl)pyridine
CID 167155091
1-fluoro-6-(10-phenylanthracen-9-yl)pyrene
CID 167155180
3-[10-[6-(10-quinolin-3-ylanthracen-9-yl)pyren-1-yl]anthracen-9-yl]quinoline
CID 59861508
1,4-difluorobenzo[c]phenanthrene
CID 14938397
5-(10-phenylanthracen-9-yl)-2-pyren-1-ylpyrimidine
CID 88869052
2-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 142726481
2-pyren-1-yl-5-(10-pyrimidin-2-ylanthracen-9-yl)pyrimidine
CID 88868937
2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-5-pyren-1-ylpyridine
CID 88868980
1,6-bis(10-naphthalen-2-ylphenanthren-9-yl)pyrene
CID 170778783
2-(4-fluoronaphthalen-1-yl)-7-[10-(3,4,5-trifluorophenyl)anthracen-9-yl]pyrene
CID 167155226
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155101

Frequently Asked Questions

What is the IUPAC name of 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine (CID 167155028) is 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine is Fc1ccc2ccc3c(-c4c5ccccc5c(-c5ccc(C(F)(F)F)nc5)c5ccccc45)ccc4ccc1c2c43.
What is the InChIKey of 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is OKGSGDSHFUWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19F4N/c37-30-17-12-21-9-14-27-28(15-10-20-11-16-29(30)34(21)33(20)27)35-25-7-3-1-5-23(25)32(24-6-2-4-8-26(24)35)22-13-18-31(41-19-22)36(38,39)40/h1-19H.
What are the key properties of 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine?
5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 541.55 g/mol, XLogP of 10.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 167155028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).