2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline

C54H37NO — CID 164831777

IUPAC2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C54H37NO/c1-4-13-38(14-5-1)39-23-30-45(31-24-39)55(47-34-27-43(28-35-47)49-20-12-21-51-50-19-10-11-22-53(50)56-54(49)51)46-32-25-40(26-33-46)44-29-36-48(41-15-6-2-7-16-41)52(37-44)42-17-8-3-9-18-42/h1-37H/i27D,28D,34D,35D
InChIKeyOJRRZZOUTVDLFX-IMKIGWANSA-N
MW719.92 g/mol
LogP15.39
Rot. Bonds8

About 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline

2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 164831777) has the molecular formula C54H37NO and a molecular weight of 719.92 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID164831777
Molecular FormulaC54H37NO
Molecular Weight719.92 g/mol
Exact Mass719.31
IUPAC Name2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C54H37NO/c1-4-13-38(14-5-1)39-23-30-45(31-24-39)55(47-34-27-43(28-35-47)49-20-12-21-51-50-19-10-11-22-53(50)56-54(49)51)46-32-25-40(26-33-46)44-29-36-48(41-15-6-2-7-16-41)52(37-44)42-17-8-3-9-18-42/h1-37H/i27D,28D,34D,35D
InChIKeyOJRRZZOUTVDLFX-IMKIGWANSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.92
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline 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

2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171451664
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171452595
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 164831971
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
CID 171452364
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171452548
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline (CID 164831777) is 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is OJRRZZOUTVDLFX-IMKIGWANSA-N. The full InChI is InChI=1S/C54H37NO/c1-4-13-38(14-5-1)39-23-30-45(31-24-39)55(47-34-27-43(28-35-47)49-20-12-21-51-50-19-10-11-22-53(50)56-54(49)51)46-32-25-40(26-33-46)44-29-36-48(41-15-6-2-7-16-41)52(37-44)42-17-8-3-9-18-42/h1-37H/i27D,28D,34D,35D.
What are the key properties of 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 719.92 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 164831777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).