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

C82H56N2S2 — CID 121323365

IUPACN-(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
SMILESCc1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C82H56N2S2/c1-53-49-59(37-45-75(53)83(63-41-33-57(34-42-63)67-27-15-19-55-17-3-5-21-65(55)67)77-29-11-7-23-69(77)61-39-47-81-73(51-61)71-25-9-13-31-79(71)85-81)60-38-46-76(54(2)50-60)84(64-43-35-58(36-44-64)68-28-16-20-56-18-4-6-22-66(56)68)78-30-12-8-24-70(78)62-40-48-82-74(52-62)72-26-10-14-32-80(72)86-82/h3-52H,1-2H3
InChIKeyFVDNADFQLJTNLQ-UHFFFAOYSA-N
MW1133.50 g/mol
LogP24.62
Rot. Bonds11

About 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

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 (PubChem CID 121323365) has the molecular formula C82H56N2S2 and a molecular weight of 1133.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID121323365
Molecular FormulaC82H56N2S2
Molecular Weight1133.50 g/mol
Exact Mass1132.39
IUPAC NameN-(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
SMILESCc1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C82H56N2S2/c1-53-49-59(37-45-75(53)83(63-41-33-57(34-42-63)67-27-15-19-55-17-3-5-21-65(55)67)77-29-11-7-23-69(77)61-39-47-81-73(51-61)71-25-9-13-31-79(71)85-81)60-38-46-76(54(2)50-60)84(64-43-35-58(36-44-64)68-28-16-20-56-18-4-6-22-66(56)68)78-30-12-8-24-70(78)62-40-48-82-74(52-62)72-26-10-14-32-80(72)86-82/h3-52H,1-2H3
InChIKeyFVDNADFQLJTNLQ-UHFFFAOYSA-N
XLogP24.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.50
LogP ≤ 524.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
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
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324592
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501553

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 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?
The InChIKey is FVDNADFQLJTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2S2/c1-53-49-59(37-45-75(53)83(63-41-33-57(34-42-63)67-27-15-19-55-17-3-5-21-65(55)67)77-29-11-7-23-69(77)61-39-47-81-73(51-61)71-25-9-13-31-79(71)85-81)60-38-46-76(54(2)50-60)84(64-43-35-58(36-44-64)68-28-16-20-56-18-4-6-22-66(56)68)78-30-12-8-24-70(78)62-40-48-82-74(52-62)72-26-10-14-32-80(72)86-82/h3-52H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1133.50 g/mol, XLogP of 24.62, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121323365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).