4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine

C33H39N3O — CID 15434011

IUPAC4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C33H39N3O/c1-2-3-4-5-6-7-8-9-10-15-24-37-29-20-18-27(19-21-29)28-25-32(30-16-11-13-22-34-30)36-33(26-28)31-17-12-14-23-35-31/h11-14,16-23,25-26H,2-10,15,24H2,1H3
InChIKeyNWJKQQLWIJJOBV-UHFFFAOYSA-N
MW493.70 g/mol
LogP9.17
Rot. Bonds15

About 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine

4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 15434011) has the molecular formula C33H39N3O and a molecular weight of 493.70 g/mol. Its IUPAC name is 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID15434011
Molecular FormulaC33H39N3O
Molecular Weight493.70 g/mol
Exact Mass493.31
IUPAC Name4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C33H39N3O/c1-2-3-4-5-6-7-8-9-10-15-24-37-29-20-18-27(19-21-29)28-25-32(30-16-11-13-22-34-30)36-33(26-28)31-17-12-14-23-35-31/h11-14,16-23,25-26H,2-10,15,24H2,1H3
InChIKeyNWJKQQLWIJJOBV-UHFFFAOYSA-N
XLogP9.17
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine
CID 102454997
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486
4-[4-[4-(4-pentoxyphenyl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 162651464
N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine
CID 132546422
4-[4-[3-[3,5-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]phenoxy]propoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101086781
4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 170271349
4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 89022451
4-[4-[(E)-2-(4-bromo-2,5-dioctoxyphenyl)ethenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102087876
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine (CID 15434011) is 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine is CCCCCCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is NWJKQQLWIJJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O/c1-2-3-4-5-6-7-8-9-10-15-24-37-29-20-18-27(19-21-29)28-25-32(30-16-11-13-22-34-30)36-33(26-28)31-17-12-14-23-35-31/h11-14,16-23,25-26H,2-10,15,24H2,1H3.
What are the key properties of 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine?
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 493.70 g/mol, XLogP of 9.17, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 15434011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).