N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine

C58H40N2 — CID 59270571

IUPACN-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
SMILESC(=C/c1ccc2cc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)ccc2c1)\c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C58H40N2/c1-3-19-49(20-4-1)59(57-53-23-11-7-15-45(53)38-46-16-8-12-24-54(46)57)51-34-30-41(31-35-51)27-28-42-29-32-44-40-52(36-33-43(44)37-42)60(50-21-5-2-6-22-50)58-55-25-13-9-17-47(55)39-48-18-10-14-26-56(48)58/h1-40H/b28-27+
InChIKeyUEDQSULGHWRVLS-BYYHNAKLSA-N
MW764.97 g/mol
LogP16.56
Rot. Bonds8

About N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine

N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine (PubChem CID 59270571) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
PubChem CID59270571
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
SMILESC(=C/c1ccc2cc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)ccc2c1)\c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C58H40N2/c1-3-19-49(20-4-1)59(57-53-23-11-7-15-45(53)38-46-16-8-12-24-54(46)57)51-34-30-41(31-35-51)27-28-42-29-32-44-40-52(36-33-43(44)37-42)60(50-21-5-2-6-22-50)58-55-25-13-9-17-47(55)39-48-18-10-14-26-56(48)58/h1-40H/b28-27+
InChIKeyUEDQSULGHWRVLS-BYYHNAKLSA-N
XLogP16.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.56
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'}

Analyze N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
N-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
CID 145488159
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
N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 20801917

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine?
The IUPAC name of N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine (CID 59270571) is N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine.
What is the SMILES notation for N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine?
The canonical SMILES for N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine is C(=C/c1ccc2cc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)ccc2c1)\c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine?
The InChIKey is UEDQSULGHWRVLS-BYYHNAKLSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-19-49(20-4-1)59(57-53-23-11-7-15-45(53)38-46-16-8-12-24-54(46)57)51-34-30-41(31-35-51)27-28-42-29-32-44-40-52(36-33-43(44)37-42)60(50-21-5-2-6-22-50)58-55-25-13-9-17-47(55)39-48-18-10-14-26-56(48)58/h1-40H/b28-27+.
What are the key properties of N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine?
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine has a molecular weight of 764.97 g/mol, XLogP of 16.56, 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-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine is sourced from PubChem (CID 59270571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).