4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C52H40N2O2 — CID 59211215

IUPAC4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCOc1cccc(-c2c3ccccc3c(-c3cccc(OC)c3)c3c(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)c1
InChIInChI=1S/C52H40N2O2/c1-55-44-25-14-17-37(35-44)50-46-27-12-13-28-47(46)51(38-18-15-26-45(36-38)56-2)52-48(50)29-16-30-49(52)54(41-23-10-5-11-24-41)43-33-31-42(32-34-43)53(39-19-6-3-7-20-39)40-21-8-4-9-22-40/h3-36H,1-2H3
InChIKeyAWGVRLYDPSMADB-UHFFFAOYSA-N
MW724.90 g/mol
LogP14.28
Rot. Bonds10

About 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 59211215) has the molecular formula C52H40N2O2 and a molecular weight of 724.90 g/mol. Its IUPAC name is 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID59211215
Molecular FormulaC52H40N2O2
Molecular Weight724.90 g/mol
Exact Mass724.31
IUPAC Name4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCOc1cccc(-c2c3ccccc3c(-c3cccc(OC)c3)c3c(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)c1
InChIInChI=1S/C52H40N2O2/c1-55-44-25-14-17-37(35-44)50-46-27-12-13-28-47(46)51(38-18-15-26-45(36-38)56-2)52-48(50)29-16-30-49(52)54(41-23-10-5-11-24-41)43-33-31-42(32-34-43)53(39-19-6-3-7-20-39)40-21-8-4-9-22-40/h3-36H,1-2H3
InChIKeyAWGVRLYDPSMADB-UHFFFAOYSA-N
XLogP14.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.90
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine 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-N-[9,10-bis(4-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211082
4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58184725
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
CID 59987787
3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 54527686
4-N-[9,10-bis(3-quinolin-7-ylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211045
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 59431567
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 157281283
1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 122533758

Frequently Asked Questions

What is the IUPAC name of 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 59211215) is 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is COc1cccc(-c2c3ccccc3c(-c3cccc(OC)c3)c3c(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc23)c1.
What is the InChIKey of 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is AWGVRLYDPSMADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O2/c1-55-44-25-14-17-37(35-44)50-46-27-12-13-28-47(46)51(38-18-15-26-45(36-38)56-2)52-48(50)29-16-30-49(52)54(41-23-10-5-11-24-41)43-33-31-42(32-34-43)53(39-19-6-3-7-20-39)40-21-8-4-9-22-40/h3-36H,1-2H3.
What are the key properties of 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 724.90 g/mol, XLogP of 14.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 59211215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).