4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine

C54H69F15N4 — CID 91581556

IUPAC4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine
SMILESCC(F)(F)CC(F)(F)CC(F)(F)CCCCc1ccnc(-c2cc(CCCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)F)ccn2)c1.CCCCCCCc1ccnc(-c2cc(CCCCCCC)ccn2)c1
InChIInChI=1S/C30H33F15N2.C24H36N2/c1-24(31,32)15-27(37,38)16-25(33,34)9-3-2-5-20-7-11-46-22(13-20)23-14-21(8-12-47-23)6-4-10-26(35,36)17-28(39,40)18-29(41,42)19-30(43,44)45;1-3-5-7-9-11-13-21-15-17-25-23(19-21)24-20-22(16-18-26-24)14-12-10-8-6-4-2/h7-8,11-14H,2-6,9-10,15-19H2,1H3;15-20H,3-14H2,1-2H3
InChIKeyXNJDSTHZSWAGOM-UHFFFAOYSA-N
MW1059.14 g/mol
LogP18.69
Rot. Bonds32

About 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine

4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine (PubChem CID 91581556) has the molecular formula C54H69F15N4 and a molecular weight of 1059.14 g/mol. Its IUPAC name is 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine.

Molecular Properties

Compound Name4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine
PubChem CID91581556
Molecular FormulaC54H69F15N4
Molecular Weight1059.14 g/mol
Exact Mass1058.53
IUPAC Name4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine
SMILESCC(F)(F)CC(F)(F)CC(F)(F)CCCCc1ccnc(-c2cc(CCCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)F)ccn2)c1.CCCCCCCc1ccnc(-c2cc(CCCCCCC)ccn2)c1
InChIInChI=1S/C30H33F15N2.C24H36N2/c1-24(31,32)15-27(37,38)16-25(33,34)9-3-2-5-20-7-11-46-22(13-20)23-14-21(8-12-47-23)6-4-10-26(35,36)17-28(39,40)18-29(41,42)19-30(43,44)45;1-3-5-7-9-11-13-21-15-17-25-23(19-21)24-20-22(16-18-26-24)14-12-10-8-6-4-2/h7-8,11-14H,2-6,9-10,15-19H2,1H3;15-20H,3-14H2,1-2H3
InChIKeyXNJDSTHZSWAGOM-UHFFFAOYSA-N
XLogP18.69
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.14
LogP ≤ 518.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
Anabasamine
CID 161313
Anabasamine hydrochloride
CID 438950
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
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-(3,5-Difluoropyridin-2-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646630
2,5-Dipyridin-2-ylpyridine
CID 4580671
tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
4,4'-Di-tert-butyl-2,2'-bipyridyl
CID 4249187

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine?
The IUPAC name of 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine (CID 91581556) is 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine.
What is the SMILES notation for 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine?
The canonical SMILES for 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine is CC(F)(F)CC(F)(F)CC(F)(F)CCCCc1ccnc(-c2cc(CCCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)F)ccn2)c1.CCCCCCCc1ccnc(-c2cc(CCCCCCC)ccn2)c1.
What is the InChIKey of 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine?
The InChIKey is XNJDSTHZSWAGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F15N2.C24H36N2/c1-24(31,32)15-27(37,38)16-25(33,34)9-3-2-5-20-7-11-46-22(13-20)23-14-21(8-12-47-23)6-4-10-26(35,36)17-28(39,40)18-29(41,42)19-30(43,44)45;1-3-5-7-9-11-13-21-15-17-25-23(19-21)24-20-22(16-18-26-24)14-12-10-8-6-4-2/h7-8,11-14H,2-6,9-10,15-19H2,1H3;15-20H,3-14H2,1-2H3.
What are the key properties of 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine?
4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine has a molecular weight of 1059.14 g/mol, XLogP of 18.69, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine is sourced from PubChem (CID 91581556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).