2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline

C37H33NO — CID 154951531

IUPAC2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
SMILESCOc1ccccc1N(c1ccc(/C=C/c2ccc(C)cc2)cc1)c1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C37H33NO/c1-28-8-12-30(13-9-28)16-18-32-20-24-34(25-21-32)38(36-6-4-5-7-37(36)39-3)35-26-22-33(23-27-35)19-17-31-14-10-29(2)11-15-31/h4-27H,1-3H3/b18-16+,19-17+
InChIKeyGHVMOXTXDPMULQ-YWNVXTCZSA-N
MW507.68 g/mol
LogP10.12
Rot. Bonds8

About 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline

2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline (PubChem CID 154951531) has the molecular formula C37H33NO and a molecular weight of 507.68 g/mol. Its IUPAC name is 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
PubChem CID154951531
Molecular FormulaC37H33NO
Molecular Weight507.68 g/mol
Exact Mass507.26
IUPAC Name2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
SMILESCOc1ccccc1N(c1ccc(/C=C/c2ccc(C)cc2)cc1)c1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C37H33NO/c1-28-8-12-30(13-9-28)16-18-32-20-24-34(25-21-32)38(36-6-4-5-7-37(36)39-3)35-26-22-33(23-27-35)19-17-31-14-10-29(2)11-15-31/h4-27H,1-3H3/b18-16+,19-17+
InChIKeyGHVMOXTXDPMULQ-YWNVXTCZSA-N
XLogP10.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 59366113
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139847758
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
N-[4-[2-[4-[2-[4-(N-(2,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline
CID 58177550
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline
CID 68614299
2-(2-methylphenoxy)-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 123318693

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline (CID 154951531) is 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline is COc1ccccc1N(c1ccc(/C=C/c2ccc(C)cc2)cc1)c1ccc(/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline?
The InChIKey is GHVMOXTXDPMULQ-YWNVXTCZSA-N. The full InChI is InChI=1S/C37H33NO/c1-28-8-12-30(13-9-28)16-18-32-20-24-34(25-21-32)38(36-6-4-5-7-37(36)39-3)35-26-22-33(23-27-35)19-17-31-14-10-29(2)11-15-31/h4-27H,1-3H3/b18-16+,19-17+.
What are the key properties of 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline?
2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline has a molecular weight of 507.68 g/mol, XLogP of 10.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 154951531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).