2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline

C54H38N2 — CID 126628010

IUPAC2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline
SMILES[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4c3)cc2)c([2H])c1[2H]
InChIInChI=1S/C54H38N2/c1-5-17-39(18-6-1)43-35-44(40-19-7-2-8-20-40)37-48(36-43)56-53-28-16-15-27-51(53)52-34-31-42(38-54(52)56)50-26-14-13-25-49(50)41-29-32-47(33-30-41)55(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-38H/i3D,9D,10D,21D,22D
InChIKeyFOLSAUQSNZRRAU-FDXMDVONSA-N
MW719.94 g/mol
LogP14.92
Rot. Bonds8

About 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline

2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline (PubChem CID 126628010) has the molecular formula C54H38N2 and a molecular weight of 719.94 g/mol. Its IUPAC name is 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline
PubChem CID126628010
Molecular FormulaC54H38N2
Molecular Weight719.94 g/mol
Exact Mass719.33
IUPAC Name2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline
SMILES[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4c3)cc2)c([2H])c1[2H]
InChIInChI=1S/C54H38N2/c1-5-17-39(18-6-1)43-35-44(40-19-7-2-8-20-40)37-48(36-43)56-53-28-16-15-27-51(53)52-34-31-42(38-54(52)56)50-26-14-13-25-49(50)41-29-32-47(33-30-41)55(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-38H/i3D,9D,10D,21D,22D
InChIKeyFOLSAUQSNZRRAU-FDXMDVONSA-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 ≤ 500719.94
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline 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

2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 154586240
3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118337352
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine
CID 140910752
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118087718
N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline
CID 140854387
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline (CID 126628010) is 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline is [2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4c3)cc2)c([2H])c1[2H].
What is the InChIKey of 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline?
The InChIKey is FOLSAUQSNZRRAU-FDXMDVONSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-17-39(18-6-1)43-35-44(40-19-7-2-8-20-40)37-48(36-43)56-53-28-16-15-27-51(53)52-34-31-42(38-54(52)56)50-26-14-13-25-49(50)41-29-32-47(33-30-41)55(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-38H/i3D,9D,10D,21D,22D.
What are the key properties of 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline?
2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline has a molecular weight of 719.94 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 2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 126628010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).