4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline

C27H24Cl2N2 — CID 89459835

IUPAC4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C27H24Cl2N2/c1-3-31(4-2)25-15-9-19(10-16-25)22-17-26(20-5-11-23(28)12-6-20)30-27(18-22)21-7-13-24(29)14-8-21/h5-18H,3-4H2,1-2H3
InChIKeyCZYFNCCCMFBJIN-UHFFFAOYSA-N
MW447.41 g/mol
LogP8.24
Rot. Bonds6

About 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline

4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline (PubChem CID 89459835) has the molecular formula C27H24Cl2N2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline
PubChem CID89459835
Molecular FormulaC27H24Cl2N2
Molecular Weight447.41 g/mol
Exact Mass446.13
IUPAC Name4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C27H24Cl2N2/c1-3-31(4-2)25-15-9-19(10-16-25)22-17-26(20-5-11-23(28)12-6-20)30-27(18-22)21-7-13-24(29)14-8-21/h5-18H,3-4H2,1-2H3
InChIKeyCZYFNCCCMFBJIN-UHFFFAOYSA-N
XLogP8.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline?
The IUPAC name of 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline (CID 89459835) is 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline?
The canonical SMILES for 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline is CCN(CC)c1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline?
The InChIKey is CZYFNCCCMFBJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N2/c1-3-31(4-2)25-15-9-19(10-16-25)22-17-26(20-5-11-23(28)12-6-20)30-27(18-22)21-7-13-24(29)14-8-21/h5-18H,3-4H2,1-2H3.
What are the key properties of 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline?
4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline has a molecular weight of 447.41 g/mol, XLogP of 8.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-N,N-diethylaniline is sourced from PubChem (CID 89459835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).