2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine

C40H22F6N2 — CID 132519155

IUPAC2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc3ccc4c(-c5ccccn5)c(-c5ccc(C(F)(F)F)cc5)cc5ccc(c2-c2ccccn2)c3c54)cc1
InChIInChI=1S/C40H22F6N2/c41-39(42,43)27-13-7-23(8-14-27)31-21-25-12-18-30-36-26(11-17-29(35(25)36)37(31)33-5-1-3-19-47-33)22-32(38(30)34-6-2-4-20-48-34)24-9-15-28(16-10-24)40(44,45)46/h1-22H
InChIKeyWBOXVWZFFMLCJL-UHFFFAOYSA-N
MW644.62 g/mol
LogP12.08
Rot. Bonds4

About 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine

2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine (PubChem CID 132519155) has the molecular formula C40H22F6N2 and a molecular weight of 644.62 g/mol. Its IUPAC name is 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine.

Molecular Properties

Compound Name2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine
PubChem CID132519155
Molecular FormulaC40H22F6N2
Molecular Weight644.62 g/mol
Exact Mass644.17
IUPAC Name2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc3ccc4c(-c5ccccn5)c(-c5ccc(C(F)(F)F)cc5)cc5ccc(c2-c2ccccn2)c3c54)cc1
InChIInChI=1S/C40H22F6N2/c41-39(42,43)27-13-7-23(8-14-27)31-21-25-12-18-30-36-26(11-17-29(35(25)36)37(31)33-5-1-3-19-47-33)22-32(38(30)34-6-2-4-20-48-34)24-9-15-28(16-10-24)40(44,45)46/h1-22H
InChIKeyWBOXVWZFFMLCJL-UHFFFAOYSA-N
XLogP12.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.62
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
4,10-bis[4-(trifluoromethyl)phenyl]pyrene
CID 122550344
2-[4-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028936
2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]pyridine
CID 58028994
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028909
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925349
5-[4-[7-tert-butyl-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]pyren-1-yl]phenyl]-2-pyridin-2-ylpyridine
CID 58028855
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991

Frequently Asked Questions

What is the IUPAC name of 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine?
The IUPAC name of 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine (CID 132519155) is 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine.
What is the SMILES notation for 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine?
The canonical SMILES for 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine is FC(F)(F)c1ccc(-c2cc3ccc4c(-c5ccccn5)c(-c5ccc(C(F)(F)F)cc5)cc5ccc(c2-c2ccccn2)c3c54)cc1.
What is the InChIKey of 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine?
The InChIKey is WBOXVWZFFMLCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22F6N2/c41-39(42,43)27-13-7-23(8-14-27)31-21-25-12-18-30-36-26(11-17-29(35(25)36)37(31)33-5-1-3-19-47-33)22-32(38(30)34-6-2-4-20-48-34)24-9-15-28(16-10-24)40(44,45)46/h1-22H.
What are the key properties of 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine?
2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine has a molecular weight of 644.62 g/mol, XLogP of 12.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine is sourced from PubChem (CID 132519155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).