2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine

C48H34N2S — CID 121327989

IUPAC2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H34N2S/c1-5-15-35(16-6-1)37-25-29-41(30-26-37)49(39-19-9-3-10-20-39)43-33-45-44-23-13-14-24-47(44)51-48(45)46(34-43)50(40-21-11-4-12-22-40)42-31-27-38(28-32-42)36-17-7-2-8-18-36/h1-34H
InChIKeyIKVKNJNTCWSFBB-UHFFFAOYSA-N
MW670.88 g/mol
LogP14.33
Rot. Bonds8

About 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine

2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine (PubChem CID 121327989) has the molecular formula C48H34N2S and a molecular weight of 670.88 g/mol. Its IUPAC name is 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
PubChem CID121327989
Molecular FormulaC48H34N2S
Molecular Weight670.88 g/mol
Exact Mass670.24
IUPAC Name2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H34N2S/c1-5-15-35(16-6-1)37-25-29-41(30-26-37)49(39-19-9-3-10-20-39)43-33-45-44-23-13-14-24-47(44)51-48(45)46(34-43)50(40-21-11-4-12-22-40)42-31-27-38(28-32-42)36-17-7-2-8-18-36/h1-34H
InChIKeyIKVKNJNTCWSFBB-UHFFFAOYSA-N
XLogP14.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.88
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-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

2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine
CID 160948013
4-N,4-N-diphenyl-2-N-[2-(N-phenylanilino)dibenzothiophen-4-yl]-2-N-(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 146550866
4-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-2-amine
CID 169280619
8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856583
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502
N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
CID 140919485
8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 153311673
5-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-3-amine
CID 169280531
4-[4-[2-(N-phenanthren-9-ylanilino)dibenzothiophen-4-yl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 146638922
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The IUPAC name of 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine (CID 121327989) is 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The canonical SMILES for 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The InChIKey is IKVKNJNTCWSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2S/c1-5-15-35(16-6-1)37-25-29-41(30-26-37)49(39-19-9-3-10-20-39)43-33-45-44-23-13-14-24-47(44)51-48(45)46(34-43)50(40-21-11-4-12-22-40)42-31-27-38(28-32-42)36-17-7-2-8-18-36/h1-34H.
What are the key properties of 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine has a molecular weight of 670.88 g/mol, XLogP of 14.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine is sourced from PubChem (CID 121327989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).