N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine

C43H52N4O2 — CID 132546422

IUPACN,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine
SMILESCCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C43H52N4O2/c1-3-5-7-9-11-17-31-48-38-25-21-35(22-26-38)47(36-23-27-39(28-24-36)49-32-18-12-10-8-6-4-2)37-33-42(40-19-13-15-29-44-40)46-43(34-37)41-20-14-16-30-45-41/h13-16,19-30,33-34H,3-12,17-18,31-32H2,1-2H3
InChIKeyFIBVOIRDRHZMNB-UHFFFAOYSA-N
MW656.92 g/mol
LogP12.15
Rot. Bonds21

About N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine

N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine (PubChem CID 132546422) has the molecular formula C43H52N4O2 and a molecular weight of 656.92 g/mol. Its IUPAC name is N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine
PubChem CID132546422
Molecular FormulaC43H52N4O2
Molecular Weight656.92 g/mol
Exact Mass656.41
IUPAC NameN,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine
SMILESCCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C43H52N4O2/c1-3-5-7-9-11-17-31-48-38-25-21-35(22-26-38)47(36-23-27-39(28-24-36)49-32-18-12-10-8-6-4-2)37-33-42(40-19-13-15-29-44-40)46-43(34-37)41-20-14-16-30-45-41/h13-16,19-30,33-34H,3-12,17-18,31-32H2,1-2H3
InChIKeyFIBVOIRDRHZMNB-UHFFFAOYSA-N
XLogP12.15
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.92
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine with MolForge

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Related Compounds

4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
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
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486
6-tridecoxyquinoline
CID 174908858
4-[4-[4-(4-pentoxyphenyl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 162651464
4-hexoxy-N-(4-hexoxyphenyl)-N-phenylaniline;yttrium
CID 140583361
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine
CID 118346858

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine?
The IUPAC name of N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine (CID 132546422) is N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine.
What is the SMILES notation for N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine?
The canonical SMILES for N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine is CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine?
The InChIKey is FIBVOIRDRHZMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N4O2/c1-3-5-7-9-11-17-31-48-38-25-21-35(22-26-38)47(36-23-27-39(28-24-36)49-32-18-12-10-8-6-4-2)37-33-42(40-19-13-15-29-44-40)46-43(34-37)41-20-14-16-30-45-41/h13-16,19-30,33-34H,3-12,17-18,31-32H2,1-2H3.
What are the key properties of N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine?
N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine has a molecular weight of 656.92 g/mol, XLogP of 12.15, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-octoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine is sourced from PubChem (CID 132546422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).