4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline

C37H37N3O — CID 72604623

IUPAC4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline
SMILESCOc1ccc(C=Cc2ccc(N(C=C3CCN(C)c4ccccc43)C=C3CCN(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C37H37N3O/c1-38-24-22-30(34-8-4-6-10-36(34)38)26-40(27-31-23-25-39(2)37-11-7-5-9-35(31)37)32-18-14-28(15-19-32)12-13-29-16-20-33(41-3)21-17-29/h4-21,26-27H,22-25H2,1-3H3
InChIKeyLFGQLJBELOPIIV-UHFFFAOYSA-N
MW539.72 g/mol
LogP8.43
Rot. Bonds6

About 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline

4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline (PubChem CID 72604623) has the molecular formula C37H37N3O and a molecular weight of 539.72 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline
PubChem CID72604623
Molecular FormulaC37H37N3O
Molecular Weight539.72 g/mol
Exact Mass539.29
IUPAC Name4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline
SMILESCOc1ccc(C=Cc2ccc(N(C=C3CCN(C)c4ccccc43)C=C3CCN(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C37H37N3O/c1-38-24-22-30(34-8-4-6-10-36(34)38)26-40(27-31-23-25-39(2)37-11-7-5-9-35(31)37)32-18-14-28(15-19-32)12-13-29-16-20-33(41-3)21-17-29/h4-21,26-27H,22-25H2,1-3H3
InChIKeyLFGQLJBELOPIIV-UHFFFAOYSA-N
XLogP8.43
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
CID 59951443
N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline
CID 54366801
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
CID 59117636
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine
CID 22742272
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
4-[2-(4-methoxyphenyl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 2836402
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888023

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline (CID 72604623) is 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline is COc1ccc(C=Cc2ccc(N(C=C3CCN(C)c4ccccc43)C=C3CCN(C)c4ccccc43)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline?
The InChIKey is LFGQLJBELOPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N3O/c1-38-24-22-30(34-8-4-6-10-36(34)38)26-40(27-31-23-25-39(2)37-11-7-5-9-35(31)37)32-18-14-28(15-19-32)12-13-29-16-20-33(41-3)21-17-29/h4-21,26-27H,22-25H2,1-3H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline?
4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline has a molecular weight of 539.72 g/mol, XLogP of 8.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline is sourced from PubChem (CID 72604623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).