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

C86H56N2S4 — CID 121323374

IUPAC4-[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
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc3sc4ccccc4c3c2)cc1)c1ccccc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C86H56N2S4/c1-53-47-57(31-41-75(53)87(63-37-27-55(28-38-63)59-33-43-83-71(49-59)67-17-5-11-23-79(67)89-83)77-21-9-3-15-65(77)61-35-45-85-73(51-61)69-19-7-13-25-81(69)91-85)58-32-42-76(54(2)48-58)88(64-39-29-56(30-40-64)60-34-44-84-72(50-60)68-18-6-12-24-80(68)90-84)78-22-10-4-16-66(78)62-36-46-86-74(52-62)70-20-8-14-26-82(70)92-86/h3-52H,1-2H3
InChIKeyLZUQWQJRANVVHC-UHFFFAOYSA-N
MW1245.68 g/mol
LogP27.05
Rot. Bonds11

About 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

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 (PubChem CID 121323374) has the molecular formula C86H56N2S4 and a molecular weight of 1245.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID121323374
Molecular FormulaC86H56N2S4
Molecular Weight1245.68 g/mol
Exact Mass1244.33
IUPAC Name4-[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
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc3sc4ccccc4c3c2)cc1)c1ccccc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C86H56N2S4/c1-53-47-57(31-41-75(53)87(63-37-27-55(28-38-63)59-33-43-83-71(49-59)67-17-5-11-23-79(67)89-83)77-21-9-3-15-65(77)61-35-45-85-73(51-61)69-19-7-13-25-81(69)91-85)58-32-42-76(54(2)48-58)88(64-39-29-56(30-40-64)60-34-44-84-72(50-60)68-18-6-12-24-80(68)90-84)78-22-10-4-16-66(78)62-36-46-86-74(52-62)70-20-8-14-26-82(70)92-86/h3-52H,1-2H3
InChIKeyLZUQWQJRANVVHC-UHFFFAOYSA-N
XLogP27.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.68
LogP ≤ 527.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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)-4-[4-(N-(2-dibenzothiophen-2-ylphenyl)-4-naphthalen-2-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 121323358
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
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-(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)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
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
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501553
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc3sc4ccccc4c3c2)cc1)c1ccccc1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 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?
The InChIKey is LZUQWQJRANVVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H56N2S4/c1-53-47-57(31-41-75(53)87(63-37-27-55(28-38-63)59-33-43-83-71(49-59)67-17-5-11-23-79(67)89-83)77-21-9-3-15-65(77)61-35-45-85-73(51-61)69-19-7-13-25-81(69)91-85)58-32-42-76(54(2)48-58)88(64-39-29-56(30-40-64)60-34-44-84-72(50-60)68-18-6-12-24-80(68)90-84)78-22-10-4-16-66(78)62-36-46-86-74(52-62)70-20-8-14-26-82(70)92-86/h3-52H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1245.68 g/mol, XLogP of 27.05, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121323374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).