N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine

C56H44N2O2 — CID 11984452

IUPACN-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
SMILESCCOc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccc(OCC)cc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C56H44N2O2/c1-3-59-43-35-31-41(32-36-43)57(39-19-7-5-8-20-39)55-49-27-15-11-23-45(49)53(46-24-12-16-28-50(46)55)54-47-25-13-17-29-51(47)56(52-30-18-14-26-48(52)54)58(40-21-9-6-10-22-40)42-33-37-44(38-34-42)60-4-2/h5-38H,3-4H2,1-2H3
InChIKeyDZMRJBAQPYJNEJ-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.70
Rot. Bonds11

About N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine

N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine (PubChem CID 11984452) has the molecular formula C56H44N2O2 and a molecular weight of 776.98 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
PubChem CID11984452
Molecular FormulaC56H44N2O2
Molecular Weight776.98 g/mol
Exact Mass776.34
IUPAC NameN-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
SMILESCCOc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccc(OCC)cc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C56H44N2O2/c1-3-59-43-35-31-41(32-36-43)57(39-19-7-5-8-20-39)55-49-27-15-11-23-45(49)53(46-24-12-16-28-50(46)55)54-47-25-13-17-29-51(47)56(52-30-18-14-26-48(52)54)58(40-21-9-6-10-22-40)42-33-37-44(38-34-42)60-4-2/h5-38H,3-4H2,1-2H3
InChIKeyDZMRJBAQPYJNEJ-UHFFFAOYSA-N
XLogP15.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-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

4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
CID 23568249
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine
CID 59103427
7-N,7-N,12-N,12-N-tetraphenylbenzo[a]anthracene-7,12-diamine
CID 59133281
9-N,10-N-diphenyl-9-N,10-N-bis(4-propylphenyl)anthracene-9,10-diamine
CID 161046775
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
ethoxybenzene chloride
CID 21193593
9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
CID 134483225
3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol
CID 59738961
4-ethoxy-N,N-dimethylaniline
CID 3624890

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine?
The IUPAC name of N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine (CID 11984452) is N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine is CCOc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccc(OCC)cc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine?
The InChIKey is DZMRJBAQPYJNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2O2/c1-3-59-43-35-31-41(32-36-43)57(39-19-7-5-8-20-39)55-49-27-15-11-23-45(49)53(46-24-12-16-28-50(46)55)54-47-25-13-17-29-51(47)56(52-30-18-14-26-48(52)54)58(40-21-9-6-10-22-40)42-33-37-44(38-34-42)60-4-2/h5-38H,3-4H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine?
N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine has a molecular weight of 776.98 g/mol, XLogP of 15.70, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine is sourced from PubChem (CID 11984452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).