5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine

C56H50N2O — CID 176825364

IUPAC5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(N(c3cc(Nc4cccc5oc6ccccc6c45)cc(C(C)(C)C)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C56H50N2O/c1-55(2,3)42-33-44(57-50-29-19-31-52-53(50)47-28-16-17-30-51(47)59-52)37-46(34-42)58(45-27-18-26-41(32-45)38-20-10-7-11-21-38)54-48(39-22-12-8-13-23-39)35-43(56(4,5)6)36-49(54)40-24-14-9-15-25-40/h7-37,57H,1-6H3/i7D,10D,11D,18D,20D,21D,26D,27D,32D
InChIKeyQDRVQYLNJSNDKP-GJHDJNNMSA-N
MW776.08 g/mol
LogP16.40
Rot. Bonds8

About 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine

5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine (PubChem CID 176825364) has the molecular formula C56H50N2O and a molecular weight of 776.08 g/mol. Its IUPAC name is 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine
PubChem CID176825364
Molecular FormulaC56H50N2O
Molecular Weight776.08 g/mol
Exact Mass775.45
IUPAC Name5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(N(c3cc(Nc4cccc5oc6ccccc6c45)cc(C(C)(C)C)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C56H50N2O/c1-55(2,3)42-33-44(57-50-29-19-31-52-53(50)47-28-16-17-30-51(47)59-52)37-46(34-42)58(45-27-18-26-41(32-45)38-20-10-7-11-21-38)54-48(39-22-12-8-13-23-39)35-43(56(4,5)6)36-49(54)40-24-14-9-15-25-40/h7-37,57H,1-6H3/i7D,10D,11D,18D,20D,21D,26D,27D,32D
InChIKeyQDRVQYLNJSNDKP-GJHDJNNMSA-N
XLogP16.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.08
LogP ≤ 516.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-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

1-N,3-N-bis(3-bromo-2,4,5,6-tetradeuteriophenyl)-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)benzene-1,3-diamine
CID 171423457
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 176853976
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 176854016
1-N,3-N-bis(3-bromo-2,4,5,6-tetradeuteriophenyl)-5-tert-butyl-1-N,3-N-bis[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]benzene-1,3-diamine
CID 171423598
1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine
CID 171730459
3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170295103
N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177067483
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
1-[3-phenyl-10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653891
N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
N-(8-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 176759764

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine?
The IUPAC name of 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine (CID 176825364) is 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(N(c3cc(Nc4cccc5oc6ccccc6c45)cc(C(C)(C)C)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c2[2H])c([2H])c1[2H].
What is the InChIKey of 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine?
The InChIKey is QDRVQYLNJSNDKP-GJHDJNNMSA-N. The full InChI is InChI=1S/C56H50N2O/c1-55(2,3)42-33-44(57-50-29-19-31-52-53(50)47-28-16-17-30-51(47)59-52)37-46(34-42)58(45-27-18-26-41(32-45)38-20-10-7-11-21-38)54-48(39-22-12-8-13-23-39)35-43(56(4,5)6)36-49(54)40-24-14-9-15-25-40/h7-37,57H,1-6H3/i7D,10D,11D,18D,20D,21D,26D,27D,32D.
What are the key properties of 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine?
5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine has a molecular weight of 776.08 g/mol, XLogP of 16.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-dibenzofuran-1-yl-3-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 176825364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).