4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline

C27H26N2 — CID 2246796

IUPAC4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C27H26N2/c1-3-29(4-2)25-17-15-21(16-18-25)24-19-26(22-11-7-5-8-12-22)28-27(20-24)23-13-9-6-10-14-23/h5-20H,3-4H2,1-2H3
InChIKeyRIZMXDDYOKBBEZ-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.93
Rot. Bonds6

About 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline

4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline (PubChem CID 2246796) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline
PubChem CID2246796
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C27H26N2/c1-3-29(4-2)25-17-15-21(16-18-25)24-19-26(22-11-7-5-8-12-22)28-27(20-24)23-13-9-6-10-14-23/h5-20H,3-4H2,1-2H3
InChIKeyRIZMXDDYOKBBEZ-UHFFFAOYSA-N
XLogP6.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline?
The IUPAC name of 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline (CID 2246796) is 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline?
The canonical SMILES for 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline is CCN(CC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline?
The InChIKey is RIZMXDDYOKBBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-3-29(4-2)25-17-15-21(16-18-25)24-19-26(22-11-7-5-8-12-22)28-27(20-24)23-13-9-6-10-14-23/h5-20H,3-4H2,1-2H3.
What are the key properties of 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline?
4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline has a molecular weight of 378.52 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyl-4-pyridinyl)-N,N-diethylaniline is sourced from PubChem (CID 2246796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).