N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline

C48H36N2O — CID 59196824

IUPACN-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline
SMILES[3H]c1cccc(N(c2ccc(Oc3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc([3H])c4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C48H36N2O/c1-5-13-37(14-6-1)39-21-25-43(26-22-39)49(41-17-9-3-10-18-41)45-29-33-47(34-30-45)51-48-35-31-46(32-36-48)50(42-19-11-4-12-20-42)44-27-23-40(24-28-44)38-15-7-2-8-16-38/h1-36H/i9T,11T
InChIKeyUZGMEJHDDSNSEO-CPNRNXSUSA-N
MW660.85 g/mol
LogP13.75
Rot. Bonds10

About N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline

N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline (PubChem CID 59196824) has the molecular formula C48H36N2O and a molecular weight of 660.85 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline
PubChem CID59196824
Molecular FormulaC48H36N2O
Molecular Weight660.85 g/mol
Exact Mass660.30
IUPAC NameN-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline
SMILES[3H]c1cccc(N(c2ccc(Oc3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc([3H])c4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C48H36N2O/c1-5-13-37(14-6-1)39-21-25-43(26-22-39)49(41-17-9-3-10-18-41)45-29-33-47(34-30-45)51-48-35-31-46(32-36-48)50(42-19-11-4-12-20-42)44-27-23-40(24-28-44)38-15-7-2-8-16-38/h1-36H/i9T,11T
InChIKeyUZGMEJHDDSNSEO-CPNRNXSUSA-N
XLogP13.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.85
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline 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

1-N,4-N-diphenyl-1-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine
CID 59197003
N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline
CID 59196878
4-N-(4-phenylphenyl)-1-N,1-N-bis[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine
CID 59196989
N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]-4-tritioanilino)phenoxy]-N-(4-tritiophenyl)aniline;N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]-4-tritioanilino)phenyl]phenoxy]phenyl]phenyl]-4-tritioaniline;N-phenyl-3-tritio-N-[4-[4-(N-(3-tritiophenyl)anilino)phenoxy]phenyl]aniline;N-phenyl-3-tritio-N-[4-[4-(N-[4-[4-(N-(3-tritiophenyl)anilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
CID 160846288
N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59196859
N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59197011
3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline
CID 59196961
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline (CID 59196824) is N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline is [3H]c1cccc(N(c2ccc(Oc3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc([3H])c4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline?
The InChIKey is UZGMEJHDDSNSEO-CPNRNXSUSA-N. The full InChI is InChI=1S/C48H36N2O/c1-5-13-37(14-6-1)39-21-25-43(26-22-39)49(41-17-9-3-10-18-41)45-29-33-47(34-30-45)51-48-35-31-46(32-36-48)50(42-19-11-4-12-20-42)44-27-23-40(24-28-44)38-15-7-2-8-16-38/h1-36H/i9T,11T.
What are the key properties of N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline?
N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline has a molecular weight of 660.85 g/mol, XLogP of 13.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline is sourced from PubChem (CID 59196824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).