4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline

C36H42N4 — CID 101368819

IUPAC4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/c2cc(C)nc(-c3cc(/C=C/c4ccc(N(CC)CC)cc4)cc(C)n3)c2)cc1
InChIInChI=1S/C36H42N4/c1-7-39(8-2)33-19-15-29(16-20-33)11-13-31-23-27(5)37-35(25-31)36-26-32(24-28(6)38-36)14-12-30-17-21-34(22-18-30)40(9-3)10-4/h11-26H,7-10H2,1-6H3/b13-11+,14-12+
InChIKeyDHWFRPCWZPSDBE-PHEQNACWSA-N
MW530.76 g/mol
LogP8.79
Rot. Bonds11

About 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline

4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline (PubChem CID 101368819) has the molecular formula C36H42N4 and a molecular weight of 530.76 g/mol. Its IUPAC name is 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline
PubChem CID101368819
Molecular FormulaC36H42N4
Molecular Weight530.76 g/mol
Exact Mass530.34
IUPAC Name4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/c2cc(C)nc(-c3cc(/C=C/c4ccc(N(CC)CC)cc4)cc(C)n3)c2)cc1
InChIInChI=1S/C36H42N4/c1-7-39(8-2)33-19-15-29(16-20-33)11-13-31-23-27(5)37-35(25-31)36-26-32(24-28(6)38-36)14-12-30-17-21-34(22-18-30)40(9-3)10-4/h11-26H,7-10H2,1-6H3/b13-11+,14-12+
InChIKeyDHWFRPCWZPSDBE-PHEQNACWSA-N
XLogP8.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.76
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline (CID 101368819) is 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=C/c2cc(C)nc(-c3cc(/C=C/c4ccc(N(CC)CC)cc4)cc(C)n3)c2)cc1.
What is the InChIKey of 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline?
The InChIKey is DHWFRPCWZPSDBE-PHEQNACWSA-N. The full InChI is InChI=1S/C36H42N4/c1-7-39(8-2)33-19-15-29(16-20-33)11-13-31-23-27(5)37-35(25-31)36-26-32(24-28(6)38-36)14-12-30-17-21-34(22-18-30)40(9-3)10-4/h11-26H,7-10H2,1-6H3/b13-11+,14-12+.
What are the key properties of 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline?
4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline has a molecular weight of 530.76 g/mol, XLogP of 8.79, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 101368819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).