N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline

C50H43N5 — CID 118601843

IUPACN,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline
SMILESCc1ccc(N(c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C50H43N5/c1-40-27-36-50(41(2)39-40)53(44-32-28-42(29-33-44)17-15-37-51-54(46-19-7-3-8-20-46)47-21-9-4-10-22-47)45-34-30-43(31-35-45)18-16-38-52-55(48-23-11-5-12-24-48)49-25-13-6-14-26-49/h3-39H,1-2H3/b17-15+,18-16+,51-37+,52-38+
InChIKeyMDBGGCNWCFFSQH-MOLLHOHMSA-N
MW713.93 g/mol
LogP13.45
Rot. Bonds13

About N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline

N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline (PubChem CID 118601843) has the molecular formula C50H43N5 and a molecular weight of 713.93 g/mol. Its IUPAC name is N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline
PubChem CID118601843
Molecular FormulaC50H43N5
Molecular Weight713.93 g/mol
Exact Mass713.35
IUPAC NameN,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline
SMILESCc1ccc(N(c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C50H43N5/c1-40-27-36-50(41(2)39-40)53(44-32-28-42(29-33-44)17-15-37-51-54(46-19-7-3-8-20-46)47-21-9-4-10-22-47)45-34-30-43(31-35-45)18-16-38-52-55(48-23-11-5-12-24-48)49-25-13-6-14-26-49/h3-39H,1-2H3/b17-15+,18-16+,51-37+,52-38+
InChIKeyMDBGGCNWCFFSQH-MOLLHOHMSA-N
XLogP13.45
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.93
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[3-methyl-4-(N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]-N-phenyl-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 102298250
N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline
CID 118601846
2,5-dimethyl-N-[4-[(1E)-8-phenylocta-1,3,5,7-tetraenyl]phenyl]-N-[4-(8-phenylocta-1,3,5,7-tetraenyl)phenyl]aniline
CID 123769354
N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
CID 59920436
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 58177582
3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
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
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
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
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline?
The IUPAC name of N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline (CID 118601843) is N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline.
What is the SMILES notation for N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline?
The canonical SMILES for N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline is Cc1ccc(N(c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline?
The InChIKey is MDBGGCNWCFFSQH-MOLLHOHMSA-N. The full InChI is InChI=1S/C50H43N5/c1-40-27-36-50(41(2)39-40)53(44-32-28-42(29-33-44)17-15-37-51-54(46-19-7-3-8-20-46)47-21-9-4-10-22-47)45-34-30-43(31-35-45)18-16-38-52-55(48-23-11-5-12-24-48)49-25-13-6-14-26-49/h3-39H,1-2H3/b17-15+,18-16+,51-37+,52-38+.
What are the key properties of N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline?
N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline has a molecular weight of 713.93 g/mol, XLogP of 13.45, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline is sourced from PubChem (CID 118601843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).