5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine

C54H22F36N4 — CID 176747360

IUPAC5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3)cc(-c3cccc(-c4cc(-c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc5)cc(-c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc5)c4)c3)c2)cn1
InChIInChI=1S/C54H22F36N4/c55-39(56,43(63,64)47(71,72)51(79,80)81)35-8-4-25(19-91-35)31-13-29(14-32(17-31)26-5-9-36(92-20-26)40(57,58)44(65,66)48(73,74)52(82,83)84)23-2-1-3-24(12-23)30-15-33(27-6-10-37(93-21-27)41(59,60)45(67,68)49(75,76)53(85,86)87)18-34(16-30)28-7-11-38(94-22-28)42(61,62)46(69,70)50(77,78)54(88,89)90/h1-22H
InChIKeyFOYYIFFQKUDLPR-UHFFFAOYSA-N
MW1410.73 g/mol
LogP20.97
Rot. Bonds18

About 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine

5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine (PubChem CID 176747360) has the molecular formula C54H22F36N4 and a molecular weight of 1410.73 g/mol. Its IUPAC name is 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine.

Molecular Properties

Compound Name5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine
PubChem CID176747360
Molecular FormulaC54H22F36N4
Molecular Weight1410.73 g/mol
Exact Mass1410.13
IUPAC Name5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3)cc(-c3cccc(-c4cc(-c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc5)cc(-c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc5)c4)c3)c2)cn1
InChIInChI=1S/C54H22F36N4/c55-39(56,43(63,64)47(71,72)51(79,80)81)35-8-4-25(19-91-35)31-13-29(14-32(17-31)26-5-9-36(92-20-26)40(57,58)44(65,66)48(73,74)52(82,83)84)23-2-1-3-24(12-23)30-15-33(27-6-10-37(93-21-27)41(59,60)45(67,68)49(75,76)53(85,86)87)18-34(16-30)28-7-11-38(94-22-28)42(61,62)46(69,70)50(77,78)54(88,89)90/h1-22H
InChIKeyFOYYIFFQKUDLPR-UHFFFAOYSA-N
XLogP20.97
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001410.73
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine with MolForge

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11530663
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11632351
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646612
3-(3,5-Difluoropyridin-2-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646630
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-fluoropyridin-4-yl)pyridazine
CID 11653463
3-(3,5-Difluoropyridin-4-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11717884
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine?
The IUPAC name of 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine (CID 176747360) is 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine.
What is the SMILES notation for 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine?
The canonical SMILES for 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3)cc(-c3cccc(-c4cc(-c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc5)cc(-c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc5)c4)c3)c2)cn1.
What is the InChIKey of 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine?
The InChIKey is FOYYIFFQKUDLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H22F36N4/c55-39(56,43(63,64)47(71,72)51(79,80)81)35-8-4-25(19-91-35)31-13-29(14-32(17-31)26-5-9-36(92-20-26)40(57,58)44(65,66)48(73,74)52(82,83)84)23-2-1-3-24(12-23)30-15-33(27-6-10-37(93-21-27)41(59,60)45(67,68)49(75,76)53(85,86)87)18-34(16-30)28-7-11-38(94-22-28)42(61,62)46(69,70)50(77,78)54(88,89)90/h1-22H.
What are the key properties of 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine?
5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine has a molecular weight of 1410.73 g/mol, XLogP of 20.97, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[3,5-bis[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]phenyl]-5-[6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine is sourced from PubChem (CID 176747360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).