2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline

C88H64N2S2 — CID 121323372

IUPAC2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c(C)cccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1c(C)cccc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C88H64N2S2/c1-57-17-15-25-75(71-43-51-85-79(55-71)77-23-11-13-27-83(77)91-85)87(57)89(73-45-37-67(38-46-73)65-33-29-63(30-34-65)61-19-7-5-8-20-61)81-49-41-69(53-59(81)3)70-42-50-82(60(4)54-70)90(74-47-39-68(40-48-74)66-35-31-64(32-36-66)62-21-9-6-10-22-62)88-58(2)18-16-26-76(88)72-44-52-86-80(56-72)78-24-12-14-28-84(78)92-86/h5-56H,1-4H3
InChIKeyMAITYBPSOSWPMH-UHFFFAOYSA-N
MW1213.63 g/mol
LogP26.26
Rot. Bonds13

About 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline

2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 121323372) has the molecular formula C88H64N2S2 and a molecular weight of 1213.63 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID121323372
Molecular FormulaC88H64N2S2
Molecular Weight1213.63 g/mol
Exact Mass1212.45
IUPAC Name2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c(C)cccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1c(C)cccc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C88H64N2S2/c1-57-17-15-25-75(71-43-51-85-79(55-71)77-23-11-13-27-83(77)91-85)87(57)89(73-45-37-67(38-46-73)65-33-29-63(30-34-65)61-19-7-5-8-20-61)81-49-41-69(53-59(81)3)70-42-50-82(60(4)54-70)90(74-47-39-68(40-48-74)66-35-31-64(32-36-66)62-21-9-6-10-22-62)88-58(2)18-16-26-76(88)72-44-52-86-80(56-72)78-24-12-14-28-84(78)92-86/h5-56H,1-4H3
InChIKeyMAITYBPSOSWPMH-UHFFFAOYSA-N
XLogP26.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.63
LogP ≤ 526.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]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

2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline
CID 121323378
N-(4-dibenzothiophen-2-ylphenyl)-4-[4-(4-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 121323011
4-[4-(4-dibenzothiophen-2-yl-N-(2-dibenzothiophen-2-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-methylaniline
CID 121323374
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983
N-[4-[4-[N,2-bis(9,9-dimethylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[N-dibenzothiophen-2-yl-2-(9,9-dimethylfluoren-2-yl)-6-methylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]dibenzothiophen-2-amine;N-[4-[4-[N-dibenzothiophen-4-yl-2-(9,9-dimethylfluoren-2-yl)-6-methylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]dibenzothiophen-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-[N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159587808
N-(2-dibenzothiophen-2-ylphenyl)-4-[4-(N-(2-dibenzothiophen-2-ylphenyl)-4-naphthalen-1-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-1-ylphenyl)aniline
CID 121323365
N-(2-dibenzothiophen-2-ylphenyl)-4-[4-(N-(2-dibenzothiophen-2-ylphenyl)-4-naphthalen-2-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 121323358
2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 121323094
N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene
CID 144761421
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-(2-methyl-6-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121323106
N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 157469979
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 121323372) is 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline is Cc1cc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c(C)cccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1c(C)cccc1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is MAITYBPSOSWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H64N2S2/c1-57-17-15-25-75(71-43-51-85-79(55-71)77-23-11-13-27-83(77)91-85)87(57)89(73-45-37-67(38-46-73)65-33-29-63(30-34-65)61-19-7-5-8-20-61)81-49-41-69(53-59(81)3)70-42-50-82(60(4)54-70)90(74-47-39-68(40-48-74)66-35-31-64(32-36-66)62-21-9-6-10-22-62)88-58(2)18-16-26-76(88)72-44-52-86-80(56-72)78-24-12-14-28-84(78)92-86/h5-56H,1-4H3.
What are the key properties of 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline?
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 1213.63 g/mol, XLogP of 26.26, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 121323372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).