N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline

C54H38N2 — CID 166581694

IUPACN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C54H38N2/c1-3-14-39(15-4-1)41-26-32-46(33-27-41)55(47-34-28-42(29-35-47)40-16-5-2-6-17-40)48-36-30-43(31-37-48)44-18-13-19-45(38-44)49-20-7-10-23-52(49)56-53-24-11-8-21-50(53)51-22-9-12-25-54(51)56/h1-38H/i26D,27D,32D,33D
InChIKeyHIBQFRZQRZODER-SQQCOLCUSA-N
MW718.94 g/mol
LogP14.92
Rot. Bonds8

About N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 166581694) has the molecular formula C54H38N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID166581694
Molecular FormulaC54H38N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C54H38N2/c1-3-14-39(15-4-1)41-26-32-46(33-27-41)55(47-34-28-42(29-35-47)40-16-5-2-6-17-40)48-36-30-43(31-37-48)44-18-13-19-45(38-44)49-20-7-10-23-52(49)56-53-24-11-8-21-50(53)51-22-9-12-25-54(51)56/h1-38H/i26D,27D,32D,33D
InChIKeyHIBQFRZQRZODER-SQQCOLCUSA-N
XLogP14.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-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

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2,3,5,6-tetradeuteriophenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 166581716
2,3,5,6-tetradeuterio-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 165383996
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
CID 166581636
2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384132
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline (CID 166581694) is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HIBQFRZQRZODER-SQQCOLCUSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-14-39(15-4-1)41-26-32-46(33-27-41)55(47-34-28-42(29-35-47)40-16-5-2-6-17-40)48-36-30-43(31-37-48)44-18-13-19-45(38-44)49-20-7-10-23-52(49)56-53-24-11-8-21-50(53)51-22-9-12-25-54(51)56/h1-38H/i26D,27D,32D,33D.
What are the key properties of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 718.94 g/mol, XLogP of 14.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166581694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).