4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline

C27H26N4O2 — CID 19421082

IUPAC4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C27H26N4O2/c1-29(2)23-11-7-20(8-12-23)26-17-22(19-5-15-25(16-6-19)31(32)33)18-27(28-26)21-9-13-24(14-10-21)30(3)4/h5-18H,1-4H3
InChIKeyBHMRZCFYLPOBAR-UHFFFAOYSA-N
MW438.53 g/mol
LogP6.12
Rot. Bonds6

About 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline

4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline (PubChem CID 19421082) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
PubChem CID19421082
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C27H26N4O2/c1-29(2)23-11-7-20(8-12-23)26-17-22(19-5-15-25(16-6-19)31(32)33)18-27(28-26)21-9-13-24(14-10-21)30(3)4/h5-18H,1-4H3
InChIKeyBHMRZCFYLPOBAR-UHFFFAOYSA-N
XLogP6.12
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline (CID 19421082) is 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline?
The InChIKey is BHMRZCFYLPOBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-29(2)23-11-7-20(8-12-23)26-17-22(19-5-15-25(16-6-19)31(32)33)18-27(28-26)21-9-13-24(14-10-21)30(3)4/h5-18H,1-4H3.
What are the key properties of 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline?
4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline has a molecular weight of 438.53 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline is sourced from PubChem (CID 19421082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).