4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C72H48N2S2 — CID 59022057

IUPAC4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H48N2S2/c1-3-13-57(14-4-1)73(59-41-33-51(34-42-59)49-25-29-55(30-26-49)63-19-11-21-67-65-17-7-9-23-69(65)75-71(63)67)61-45-37-53(38-46-61)54-39-47-62(48-40-54)74(58-15-5-2-6-16-58)60-43-35-52(36-44-60)50-27-31-56(32-28-50)64-20-12-22-68-66-18-8-10-24-70(66)76-72(64)68/h1-48H
InChIKeyXGXXQFFBEXQVQF-UHFFFAOYSA-N
MW1005.32 g/mol
LogP21.70
Rot. Bonds11

About 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline

4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 59022057) has the molecular formula C72H48N2S2 and a molecular weight of 1005.32 g/mol. Its IUPAC name is 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID59022057
Molecular FormulaC72H48N2S2
Molecular Weight1005.32 g/mol
Exact Mass1004.33
IUPAC Name4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H48N2S2/c1-3-13-57(14-4-1)73(59-41-33-51(34-42-59)49-25-29-55(30-26-49)63-19-11-21-67-65-17-7-9-23-69(65)75-71(63)67)61-45-37-53(38-46-61)54-39-47-62(48-40-54)74(58-15-5-2-6-16-58)60-43-35-52(36-44-60)50-27-31-56(32-28-50)64-20-12-22-68-66-18-8-10-24-70(66)76-72(64)68/h1-48H
InChIKeyXGXXQFFBEXQVQF-UHFFFAOYSA-N
XLogP21.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.32
LogP ≤ 521.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 59022057) is 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is XGXXQFFBEXQVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2S2/c1-3-13-57(14-4-1)73(59-41-33-51(34-42-59)49-25-29-55(30-26-49)63-19-11-21-67-65-17-7-9-23-69(65)75-71(63)67)61-45-37-53(38-46-61)54-39-47-62(48-40-54)74(58-15-5-2-6-16-58)60-43-35-52(36-44-60)50-27-31-56(32-28-50)64-20-12-22-68-66-18-8-10-24-70(66)76-72(64)68/h1-48H.
What are the key properties of 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 1005.32 g/mol, XLogP of 21.70, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 59022057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).