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

C86H60N2S2 — CID 121323011

IUPACN-(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
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2ccc3sc4ccccc4c3c2)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C86H60N2S2/c1-57-53-67(41-49-79(57)87(81-25-13-9-21-73(81)65-33-29-61(30-34-65)59-17-5-3-6-18-59)71-45-37-63(38-46-71)69-43-51-85-77(55-69)75-23-11-15-27-83(75)89-85)68-42-50-80(58(2)54-68)88(82-26-14-10-22-74(82)66-35-31-62(32-36-66)60-19-7-4-8-20-60)72-47-39-64(40-48-72)70-44-52-86-78(56-70)76-24-12-16-28-84(76)90-86/h3-56H,1-2H3
InChIKeyFQBQXGSCNDCJQY-UHFFFAOYSA-N
MW1185.57 g/mol
LogP25.65
Rot. Bonds13

About 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

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 (PubChem CID 121323011) has the molecular formula C86H60N2S2 and a molecular weight of 1185.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID121323011
Molecular FormulaC86H60N2S2
Molecular Weight1185.57 g/mol
Exact Mass1184.42
IUPAC NameN-(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
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2ccc3sc4ccccc4c3c2)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C86H60N2S2/c1-57-53-67(41-49-79(57)87(81-25-13-9-21-73(81)65-33-29-61(30-34-65)59-17-5-3-6-18-59)71-45-37-63(38-46-71)69-43-51-85-77(55-69)75-23-11-15-27-83(75)89-85)68-42-50-80(58(2)54-68)88(82-26-14-10-22-74(82)66-35-31-62(32-36-66)60-19-7-4-8-20-60)72-47-39-64(40-48-72)70-44-52-86-78(56-70)76-24-12-16-28-84(76)90-86/h3-56H,1-2H3
InChIKeyFQBQXGSCNDCJQY-UHFFFAOYSA-N
XLogP25.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.57
LogP ≤ 525.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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-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-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
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
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-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501553
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502933
2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167326214
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2ccc3sc4ccccc4c3c2)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is FQBQXGSCNDCJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60N2S2/c1-57-53-67(41-49-79(57)87(81-25-13-9-21-73(81)65-33-29-61(30-34-65)59-17-5-3-6-18-59)71-45-37-63(38-46-71)69-43-51-85-77(55-69)75-23-11-15-27-83(75)89-85)68-42-50-80(58(2)54-68)88(82-26-14-10-22-74(82)66-35-31-62(32-36-66)60-19-7-4-8-20-60)72-47-39-64(40-48-72)70-44-52-86-78(56-70)76-24-12-16-28-84(76)90-86/h3-56H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1185.57 g/mol, XLogP of 25.65, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121323011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).