N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine

C54H38N2 — CID 59398958

IUPACN-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
SMILESC(=C/c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1)\c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C54H38N2/c1-3-19-45(20-4-1)55(53-49-23-11-7-15-41(49)37-42-16-8-12-24-50(42)53)47-33-29-39(30-34-47)27-28-40-31-35-48(36-32-40)56(46-21-5-2-6-22-46)54-51-25-13-9-17-43(51)38-44-18-10-14-26-52(44)54/h1-38H/b28-27+
InChIKeyUJNYSWPYUGOYGX-BYYHNAKLSA-N
MW714.91 g/mol
LogP15.41
Rot. Bonds8

About N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine

N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine (PubChem CID 59398958) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
PubChem CID59398958
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
SMILESC(=C/c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1)\c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C54H38N2/c1-3-19-45(20-4-1)55(53-49-23-11-7-15-41(49)37-42-16-8-12-24-50(42)53)47-33-29-39(30-34-47)27-28-40-31-35-48(36-32-40)56(46-21-5-2-6-22-46)54-51-25-13-9-17-43(51)38-44-18-10-14-26-52(44)54/h1-38H/b28-27+
InChIKeyUJNYSWPYUGOYGX-BYYHNAKLSA-N
XLogP15.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 515.41
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

N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
CID 145488159
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N-[4-[2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 74013976
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
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine
CID 58058867
N,N-diphenyl-4-[2-[1-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]aniline
CID 173070087
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine?
The IUPAC name of N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine (CID 59398958) is N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine is C(=C/c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1)\c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine?
The InChIKey is UJNYSWPYUGOYGX-BYYHNAKLSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-19-45(20-4-1)55(53-49-23-11-7-15-41(49)37-42-16-8-12-24-50(42)53)47-33-29-39(30-34-47)27-28-40-31-35-48(36-32-40)56(46-21-5-2-6-22-46)54-51-25-13-9-17-43(51)38-44-18-10-14-26-52(44)54/h1-38H/b28-27+.
What are the key properties of N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine?
N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine has a molecular weight of 714.91 g/mol, XLogP of 15.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine is sourced from PubChem (CID 59398958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).