4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline

C27H26N2 — CID 129140985

IUPAC4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline
SMILESCc1ccc(-c2cc(-c3ccc(N(C)C)cc3)cc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H26N2/c1-19-5-9-22(10-6-19)26-17-24(21-13-15-25(16-14-21)29(3)4)18-27(28-26)23-11-7-20(2)8-12-23/h5-18H,1-4H3
InChIKeyWBWPQRIDQQETTJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.77
Rot. Bonds4

About 4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline

4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline (PubChem CID 129140985) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline
PubChem CID129140985
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline
SMILESCc1ccc(-c2cc(-c3ccc(N(C)C)cc3)cc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H26N2/c1-19-5-9-22(10-6-19)26-17-24(21-13-15-25(16-14-21)29(3)4)18-27(28-26)23-11-7-20(2)8-12-23/h5-18H,1-4H3
InChIKeyWBWPQRIDQQETTJ-UHFFFAOYSA-N
XLogP6.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.77
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-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline (CID 129140985) is 4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline is Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)cc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline?
The InChIKey is WBWPQRIDQQETTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-19-5-9-22(10-6-19)26-17-24(21-13-15-25(16-14-21)29(3)4)18-27(28-26)23-11-7-20(2)8-12-23/h5-18H,1-4H3.
What are the key properties of 4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline?
4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline has a molecular weight of 378.52 g/mol, XLogP of 6.77, 4 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-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline is sourced from PubChem (CID 129140985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).