4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine

C28H12F12N2 — CID 132551112

IUPAC4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c3ccccc23)cc(C(F)(F)F)n1
InChIInChI=1S/C28H12F12N2/c29-25(30,31)19-9-13(10-20(41-19)26(32,33)34)23-15-5-1-2-6-16(15)24(18-8-4-3-7-17(18)23)14-11-21(27(35,36)37)42-22(12-14)28(38,39)40/h1-12H
InChIKeyADJSXCXXAKXZQY-UHFFFAOYSA-N
MW604.39 g/mol
LogP10.19
Rot. Bonds2

About 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine

4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine (PubChem CID 132551112) has the molecular formula C28H12F12N2 and a molecular weight of 604.39 g/mol. Its IUPAC name is 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine
PubChem CID132551112
Molecular FormulaC28H12F12N2
Molecular Weight604.39 g/mol
Exact Mass604.08
IUPAC Name4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c3ccccc23)cc(C(F)(F)F)n1
InChIInChI=1S/C28H12F12N2/c29-25(30,31)19-9-13(10-20(41-19)26(32,33)34)23-15-5-1-2-6-16(15)24(18-8-4-3-7-17(18)23)14-11-21(27(35,36)37)42-22(12-14)28(38,39)40/h1-12H
InChIKeyADJSXCXXAKXZQY-UHFFFAOYSA-N
XLogP10.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.39
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benz(c)acridine
CID 9181
DIBENZ(a,h)ACRIDINE
CID 9183
7-Methylbenz(c)acridine
CID 76861
Dibenz(a,c)acridine
CID 9165
7,10-Dimethylbenz(c)acridine
CID 16936
2-Naphthalen-2-ylquinolin-4-amine
CID 18403988
(anthracen-9-yl)-N,N-bis((pyridin-2-yl)methyl)methanamine
CID 10079224
2-Phenylbenzo(h)quinoline
CID 3669703
CypA Inhibitor, 1c
CID 11710078
6-Methyl-9-phenyl-8-aza-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
CID 44269935
(1R,12R,13S,17R,21S)-12-ethyl-18-propyl-7-(trifluoromethyl)-10,18-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2(11),3,5,7,9-pentaene
CID 132584404
3,4,8-Tris(4-methylphenyl)-2-(trifluoromethyl)quinoline
CID 145950387

Frequently Asked Questions

What is the IUPAC name of 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine (CID 132551112) is 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine is FC(F)(F)c1cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c3ccccc23)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is ADJSXCXXAKXZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12F12N2/c29-25(30,31)19-9-13(10-20(41-19)26(32,33)34)23-15-5-1-2-6-16(15)24(18-8-4-3-7-17(18)23)14-11-21(27(35,36)37)42-22(12-14)28(38,39)40/h1-12H.
What are the key properties of 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine?
4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 604.39 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[2,6-bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 132551112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).