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

C62H44N2 — CID 58184725

IUPAC4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4c(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc34)c2)cc1
InChIInChI=1S/C62H44N2/c1-6-21-45(22-7-1)47-25-18-27-49(43-47)60-56-35-16-17-36-57(56)61(50-28-19-26-48(44-50)46-23-8-2-9-24-46)62-58(60)37-20-38-59(62)64(53-33-14-5-15-34-53)55-41-39-54(40-42-55)63(51-29-10-3-11-30-51)52-31-12-4-13-32-52/h1-44H
InChIKeyZADSUAYXHYSYBG-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.60
Rot. Bonds10

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

4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 58184725) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID58184725
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4c(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc34)c2)cc1
InChIInChI=1S/C62H44N2/c1-6-21-45(22-7-1)47-25-18-27-49(43-47)60-56-35-16-17-36-57(56)61(50-28-19-26-48(44-50)46-23-8-2-9-24-46)62-58(60)37-20-38-59(62)64(53-33-14-5-15-34-53)55-41-39-54(40-42-55)63(51-29-10-3-11-30-51)52-31-12-4-13-32-52/h1-44H
InChIKeyZADSUAYXHYSYBG-UHFFFAOYSA-N
XLogP17.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-[9,10-bis(3-phenylphenyl)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

N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211215
4-N-[9,10-bis(3-quinolin-7-ylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211045
9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 169063139
N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine
CID 169064773
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
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
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
4-N-[9,10-bis(4-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211082
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
CID 143567044
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806

Frequently Asked Questions

What is the IUPAC name of 4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 58184725) is 4-N-[9,10-bis(3-phenylphenyl)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-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4c(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc34)c2)cc1.
What is the InChIKey of 4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is ZADSUAYXHYSYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-6-21-45(22-7-1)47-25-18-27-49(43-47)60-56-35-16-17-36-57(56)61(50-28-19-26-48(44-50)46-23-8-2-9-24-46)62-58(60)37-20-38-59(62)64(53-33-14-5-15-34-53)55-41-39-54(40-42-55)63(51-29-10-3-11-30-51)52-31-12-4-13-32-52/h1-44H.
What are the key properties of 4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 817.05 g/mol, XLogP of 17.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 58184725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).