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

C54H43N5 — CID 118601846

IUPACN,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline
SMILESC(=C/c1ccc(N(c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1)\C=N\N(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H43N5/c1-6-22-46(23-7-1)53-32-16-17-33-54(53)57(47-38-34-44(35-39-47)20-18-42-55-58(49-24-8-2-9-25-49)50-26-10-3-11-27-50)48-40-36-45(37-41-48)21-19-43-56-59(51-28-12-4-13-29-51)52-30-14-5-15-31-52/h1-43H/b20-18+,21-19+,55-42+,56-43+
InChIKeyQGDZVRPWYOVJHP-LQLYPUTISA-N
MW761.97 g/mol
LogP14.50
Rot. Bonds14

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

N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline (PubChem CID 118601846) has the molecular formula C54H43N5 and a molecular weight of 761.97 g/mol. Its IUPAC name is N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline
PubChem CID118601846
Molecular FormulaC54H43N5
Molecular Weight761.97 g/mol
Exact Mass761.35
IUPAC NameN,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline
SMILESC(=C/c1ccc(N(c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1)\C=N\N(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H43N5/c1-6-22-46(23-7-1)53-32-16-17-33-54(53)57(47-38-34-44(35-39-47)20-18-42-55-58(49-24-8-2-9-25-49)50-26-10-3-11-27-50)48-40-36-45(37-41-48)21-19-43-56-59(51-28-12-4-13-29-51)52-30-14-5-15-31-52/h1-43H/b20-18+,21-19+,55-42+,56-43+
InChIKeyQGDZVRPWYOVJHP-LQLYPUTISA-N
XLogP14.50
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 514.50
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

N,2-diphenyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59705555
N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline
CID 118601843
2-phenyl-N-[3-[(E)-2-phenylethenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705594
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163689663
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline?
The IUPAC name of N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline (CID 118601846) is N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline.
What is the SMILES notation for N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline?
The canonical SMILES for N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline is C(=C/c1ccc(N(c2ccc(/C=C/C=N/N(c3ccccc3)c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1)\C=N\N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline?
The InChIKey is QGDZVRPWYOVJHP-LQLYPUTISA-N. The full InChI is InChI=1S/C54H43N5/c1-6-22-46(23-7-1)53-32-16-17-33-54(53)57(47-38-34-44(35-39-47)20-18-42-55-58(49-24-8-2-9-25-49)50-26-10-3-11-27-50)48-40-36-45(37-41-48)21-19-43-56-59(51-28-12-4-13-29-51)52-30-14-5-15-31-52/h1-43H/b20-18+,21-19+,55-42+,56-43+.
What are the key properties of N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline?
N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2-phenylaniline has a molecular weight of 761.97 g/mol, XLogP of 14.50, 14 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-phenylaniline is sourced from PubChem (CID 118601846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).