4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C206H132N4S8 — CID 158103860

IUPAC4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C54H35NS2.2C52H33NS2.C48H31NS2/c1-3-13-36(14-4-1)37-25-29-43(30-26-37)55(42-15-5-2-6-16-42)44-31-27-38(28-32-44)39-33-40(45-19-11-21-49-47-17-7-9-23-51(47)56-53(45)49)35-41(34-39)46-20-12-22-50-48-18-8-10-24-52(48)57-54(46)50;1-2-15-39(16-3-1)53(48-24-10-14-35-13-4-5-17-41(35)48)40-29-27-34(28-30-40)36-31-37(42-20-11-22-46-44-18-6-8-25-49(44)54-51(42)46)33-38(32-36)43-21-12-23-47-45-19-7-9-26-50(45)55-52(43)47;1-2-14-40(15-3-1)53(42-29-26-34-12-4-5-13-36(34)33-42)41-27-24-35(25-28-41)37-30-38(43-18-10-20-47-45-16-6-8-22-49(45)54-51(43)47)32-39(31-37)44-19-11-21-48-46-17-7-9-23-50(46)55-52(44)48;1-3-13-36(14-4-1)49(37-15-5-2-6-16-37)38-27-25-32(26-28-38)33-29-34(39-19-11-21-43-41-17-7-9-23-45(41)50-47(39)43)31-35(30-33)40-20-12-22-44-42-18-8-10-24-46(42)51-48(40)44/h1-35H;2*1-33H;1-31H
InChIKeyFPPCVEOEQBZQHX-UHFFFAOYSA-N
MW2919.89 g/mol
LogP63.55
Rot. Bonds25

About 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 158103860) has the molecular formula C206H132N4S8 and a molecular weight of 2919.89 g/mol. Its IUPAC name is 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID158103860
Molecular FormulaC206H132N4S8
Molecular Weight2919.89 g/mol
Exact Mass2916.82
IUPAC Name4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C54H35NS2.2C52H33NS2.C48H31NS2/c1-3-13-36(14-4-1)37-25-29-43(30-26-37)55(42-15-5-2-6-16-42)44-31-27-38(28-32-44)39-33-40(45-19-11-21-49-47-17-7-9-23-51(47)56-53(45)49)35-41(34-39)46-20-12-22-50-48-18-8-10-24-52(48)57-54(46)50;1-2-15-39(16-3-1)53(48-24-10-14-35-13-4-5-17-41(35)48)40-29-27-34(28-30-40)36-31-37(42-20-11-22-46-44-18-6-8-25-49(44)54-51(42)46)33-38(32-36)43-21-12-23-47-45-19-7-9-26-50(45)55-52(43)47;1-2-14-40(15-3-1)53(42-29-26-34-12-4-5-13-36(34)33-42)41-27-24-35(25-28-41)37-30-38(43-18-10-20-47-45-16-6-8-22-49(45)54-51(43)47)32-39(31-37)44-19-11-21-48-46-17-7-9-23-50(46)55-52(44)48;1-3-13-36(14-4-1)49(37-15-5-2-6-16-37)38-27-25-32(26-28-38)33-29-34(39-19-11-21-43-41-17-7-9-23-45(41)50-47(39)43)31-35(30-33)40-20-12-22-44-42-18-8-10-24-46(42)51-48(40)44/h1-35H;2*1-33H;1-31H
InChIKeyFPPCVEOEQBZQHX-UHFFFAOYSA-N
XLogP63.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.89
LogP ≤ 563.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

4-N-(3-dibenzothiophen-4-ylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 121323913
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine
CID 158594661
4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161489746
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(4-phenylphenyl)aniline
CID 158744842
4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine
CID 167086388

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 158103860) is 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is FPPCVEOEQBZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2.2C52H33NS2.C48H31NS2/c1-3-13-36(14-4-1)37-25-29-43(30-26-37)55(42-15-5-2-6-16-42)44-31-27-38(28-32-44)39-33-40(45-19-11-21-49-47-17-7-9-23-51(47)56-53(45)49)35-41(34-39)46-20-12-22-50-48-18-8-10-24-52(48)57-54(46)50;1-2-15-39(16-3-1)53(48-24-10-14-35-13-4-5-17-41(35)48)40-29-27-34(28-30-40)36-31-37(42-20-11-22-46-44-18-6-8-25-49(44)54-51(42)46)33-38(32-36)43-21-12-23-47-45-19-7-9-26-50(45)55-52(43)47;1-2-14-40(15-3-1)53(42-29-26-34-12-4-5-13-36(34)33-42)41-27-24-35(25-28-41)37-30-38(43-18-10-20-47-45-16-6-8-22-49(45)54-51(43)47)32-39(31-37)44-19-11-21-48-46-17-7-9-23-50(46)55-52(44)48;1-3-13-36(14-4-1)49(37-15-5-2-6-16-37)38-27-25-32(26-28-38)33-29-34(39-19-11-21-43-41-17-7-9-23-45(41)50-47(39)43)31-35(30-33)40-20-12-22-44-42-18-8-10-24-46(42)51-48(40)44/h1-35H;2*1-33H;1-31H.
What are the key properties of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 2919.89 g/mol, XLogP of 63.55, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 158103860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).