N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline

C60H40N2S — CID 118505842

IUPACN-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c4)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H40N2S/c1-4-18-41(19-5-1)44-35-37-55(52(39-44)42-20-6-2-7-21-42)61(47-24-8-3-9-25-47)53-29-13-10-26-48(53)46-23-16-22-43(38-46)45-34-36-50-49-27-11-14-30-54(49)62(57(50)40-45)56-31-17-33-59-60(56)51-28-12-15-32-58(51)63-59/h1-40H
InChIKeyGAXPYYVKKQZWJM-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline

N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline (PubChem CID 118505842) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline.

Molecular Properties

Compound NameN-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline
PubChem CID118505842
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC NameN-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c4)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H40N2S/c1-4-18-41(19-5-1)44-35-37-55(52(39-44)42-20-6-2-7-21-42)61(47-24-8-3-9-25-47)53-29-13-10-26-48(53)46-23-16-22-43(38-46)45-34-36-50-49-27-11-14-30-54(49)62(57(50)40-45)56-31-17-33-59-60(56)51-28-12-15-32-58(51)63-59/h1-40H
InChIKeyGAXPYYVKKQZWJM-UHFFFAOYSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.06
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline 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-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
CID 144844352
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322390
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118505838
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
2-[3-(9-dibenzofuran-1-ylcarbazol-4-yl)phenyl]-N-[4-[4-[3-[3-[4-[4-[N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660251
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 174310339
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline?
The IUPAC name of N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline (CID 118505842) is N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline.
What is the SMILES notation for N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline?
The canonical SMILES for N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c4)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline?
The InChIKey is GAXPYYVKKQZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-4-18-41(19-5-1)44-35-37-55(52(39-44)42-20-6-2-7-21-42)61(47-24-8-3-9-25-47)53-29-13-10-26-48(53)46-23-16-22-43(38-46)45-34-36-50-49-27-11-14-30-54(49)62(57(50)40-45)56-31-17-33-59-60(56)51-28-12-15-32-58(51)63-59/h1-40H.
What are the key properties of N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline?
N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline has a molecular weight of 821.06 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline is sourced from PubChem (CID 118505842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).