N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline

C54H40N2 — CID 173070087

IUPACN,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline
SMILESC(=Cc1ccc2cc3ccccc3cc2c1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H40N2/c1-5-17-47(18-6-1)55(48-19-7-2-8-20-48)51-34-26-41(27-35-51)25-31-43-32-33-46-39-44-15-13-14-16-45(44)40-54(46)53(43)38-30-42-28-36-52(37-29-42)56(49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-40H
InChIKeyIPZFRWJVQBNOPB-UHFFFAOYSA-N
MW716.93 g/mol
LogP15.27
Rot. Bonds10

About N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline

N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline (PubChem CID 173070087) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline
PubChem CID173070087
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC NameN,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline
SMILESC(=Cc1ccc2cc3ccccc3cc2c1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H40N2/c1-5-17-47(18-6-1)55(48-19-7-2-8-20-48)51-34-26-41(27-35-51)25-31-43-32-33-46-39-44-15-13-14-16-45(44)40-54(46)53(43)38-30-42-28-36-52(37-29-42)56(49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-40H
InChIKeyIPZFRWJVQBNOPB-UHFFFAOYSA-N
XLogP15.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
CID 67900431
CID 67900431
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571
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-[(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
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-N-[4-(2-anthracen-2-ylethenyl)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142090420
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
9,10-dinaphthalen-2-ylanthracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 162261204

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline (CID 173070087) is N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline is C(=Cc1ccc2cc3ccccc3cc2c1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline?
The InChIKey is IPZFRWJVQBNOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-5-17-47(18-6-1)55(48-19-7-2-8-20-48)51-34-26-41(27-35-51)25-31-43-32-33-46-39-44-15-13-14-16-45(44)40-54(46)53(43)38-30-42-28-36-52(37-29-42)56(49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-40H.
What are the key properties of N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline?
N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline has a molecular weight of 716.93 g/mol, XLogP of 15.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline is sourced from PubChem (CID 173070087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).