N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline

C44H54N4 — CID 24752524

IUPACN,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline
SMILESCCCCN(CCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2-c2ccc(N(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C44H54N4/c1-5-9-30-47(31-10-6-2)38-25-21-35(22-26-38)40-34-42(36-18-14-13-15-19-36)46-44(41-20-16-17-29-45-41)43(40)37-23-27-39(28-24-37)48(32-11-7-3)33-12-8-4/h13-29,34H,5-12,30-33H2,1-4H3
InChIKeyCVSBJVSXUOABHP-UHFFFAOYSA-N
MW638.94 g/mol
LogP11.96
Rot. Bonds18

About N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline

N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline (PubChem CID 24752524) has the molecular formula C44H54N4 and a molecular weight of 638.94 g/mol. Its IUPAC name is N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline.

Molecular Properties

Compound NameN,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline
PubChem CID24752524
Molecular FormulaC44H54N4
Molecular Weight638.94 g/mol
Exact Mass638.43
IUPAC NameN,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline
SMILESCCCCN(CCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2-c2ccc(N(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C44H54N4/c1-5-9-30-47(31-10-6-2)38-25-21-35(22-26-38)40-34-42(36-18-14-13-15-19-36)46-44(41-20-16-17-29-45-41)43(40)37-23-27-39(28-24-37)48(32-11-7-3)33-12-8-4/h13-29,34H,5-12,30-33H2,1-4H3
InChIKeyCVSBJVSXUOABHP-UHFFFAOYSA-N
XLogP11.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.94
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline?
The IUPAC name of N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline (CID 24752524) is N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline.
What is the SMILES notation for N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline?
The canonical SMILES for N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline is CCCCN(CCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2-c2ccc(N(CCCC)CCCC)cc2)cc1.
What is the InChIKey of N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline?
The InChIKey is CVSBJVSXUOABHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54N4/c1-5-9-30-47(31-10-6-2)38-25-21-35(22-26-38)40-34-42(36-18-14-13-15-19-36)46-44(41-20-16-17-29-45-41)43(40)37-23-27-39(28-24-37)48(32-11-7-3)33-12-8-4/h13-29,34H,5-12,30-33H2,1-4H3.
What are the key properties of N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline?
N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline has a molecular weight of 638.94 g/mol, XLogP of 11.96, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-[3-[4-(dibutylamino)phenyl]-6-phenyl-2-pyridin-2-yl-4-pyridinyl]aniline is sourced from PubChem (CID 24752524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).