4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline

C39H28N4 — CID 11827782

IUPAC4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2)cc1
InChIInChI=1S/C39H28N4/c1-3-11-33(12-4-1)43(34-13-5-2-6-14-34)35-23-21-30(22-24-35)29-17-19-31(20-18-29)32-27-38(36-15-7-9-25-40-36)42-39(28-32)37-16-8-10-26-41-37/h1-28H
InChIKeyHAEIIMDPEDYNBM-UHFFFAOYSA-N
MW552.68 g/mol
LogP10.01
Rot. Bonds7

About 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline

4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline (PubChem CID 11827782) has the molecular formula C39H28N4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline
PubChem CID11827782
Molecular FormulaC39H28N4
Molecular Weight552.68 g/mol
Exact Mass552.23
IUPAC Name4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2)cc1
InChIInChI=1S/C39H28N4/c1-3-11-33(12-4-1)43(34-13-5-2-6-14-34)35-23-21-30(22-24-35)29-17-19-31(20-18-29)32-27-38(36-15-7-9-25-40-36)42-39(28-32)37-16-8-10-26-41-37/h1-28H
InChIKeyHAEIIMDPEDYNBM-UHFFFAOYSA-N
XLogP10.01
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline (CID 11827782) is 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline?
The InChIKey is HAEIIMDPEDYNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4/c1-3-11-33(12-4-1)43(34-13-5-2-6-14-34)35-23-21-30(22-24-35)29-17-19-31(20-18-29)32-27-38(36-15-7-9-25-40-36)42-39(28-32)37-16-8-10-26-41-37/h1-28H.
What are the key properties of 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline?
4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline has a molecular weight of 552.68 g/mol, XLogP of 10.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 11827782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).