N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline

C56H46N4+2 — CID 177498214

IUPACN,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline
SMILESC(/C=C/c1cc[n+]2c(c1)-c1cc(/C=C/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc[n+]1CC2)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C56H46N4/c1-5-21-49(22-6-1)59(50-23-7-2-8-24-50)53-33-29-45(30-34-53)17-13-15-19-47-37-39-57-41-42-58-40-38-48(44-56(58)55(57)43-47)20-16-14-18-46-31-35-54(36-32-46)60(51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-40,43-44H,41-42H2/q+2
InChIKeyMOKKCNPNTCQZOF-UHFFFAOYSA-N
MW775.01 g/mol
LogP13.34
Rot. Bonds12

About N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline

N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline (PubChem CID 177498214) has the molecular formula C56H46N4+2 and a molecular weight of 775.01 g/mol. Its IUPAC name is N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline
PubChem CID177498214
Molecular FormulaC56H46N4+2
Molecular Weight775.01 g/mol
Exact Mass774.37
IUPAC NameN,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline
SMILESC(/C=C/c1cc[n+]2c(c1)-c1cc(/C=C/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc[n+]1CC2)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C56H46N4/c1-5-21-49(22-6-1)59(50-23-7-2-8-24-50)53-33-29-45(30-34-53)17-13-15-19-47-37-39-57-41-42-58-40-38-48(44-56(58)55(57)43-47)20-16-14-18-46-31-35-54(36-32-46)60(51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-40,43-44H,41-42H2/q+2
InChIKeyMOKKCNPNTCQZOF-UHFFFAOYSA-N
XLogP13.34
TPSA14.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline with MolForge

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Related Compounds

4-[(1E,3E)-4-(14-methyl-7,11-diazoniatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-yl)buta-1,3-dienyl]-N,N-diphenylaniline
CID 139037597
acetonitrile;ethoxyethane;4-[(1E,3E)-4-(14-methyl-7,11-diazoniatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-yl)buta-1,3-dienyl]-N,N-diphenylaniline;dihexafluorophosphate
CID 139037596
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-dimethyl-4-[(E)-2-(13-methyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl)ethenyl]aniline
CID 177455453
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 153296835
4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-N-phenylaniline
CID 25157945
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
CID 59460181

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline?
The IUPAC name of N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline (CID 177498214) is N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline is C(/C=C/c1cc[n+]2c(c1)-c1cc(/C=C/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc[n+]1CC2)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline?
The InChIKey is MOKKCNPNTCQZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4/c1-5-21-49(22-6-1)59(50-23-7-2-8-24-50)53-33-29-45(30-34-53)17-13-15-19-47-37-39-57-41-42-58-40-38-48(44-56(58)55(57)43-47)20-16-14-18-46-31-35-54(36-32-46)60(51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-40,43-44H,41-42H2/q+2.
What are the key properties of N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline?
N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline has a molecular weight of 775.01 g/mol, XLogP of 13.34, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(1E,3E)-4-[13-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-4-yl]buta-1,3-dienyl]aniline is sourced from PubChem (CID 177498214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).