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

C148H98N4S2 — CID 161489746

IUPAC4-[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
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C76H50N2S.C72H48N2S/c1-2-16-59(17-3-1)78(74-26-12-15-56-14-4-5-18-64(56)74)63-47-36-54(37-48-63)53-34-43-61(44-35-53)77(62-45-38-55(39-46-62)58-40-49-70-68-21-7-6-19-66(68)67-20-8-9-22-69(67)73(70)50-58)60-41-32-52(33-42-60)51-28-30-57(31-29-51)65-24-13-25-72-71-23-10-11-27-75(71)79-76(65)72;1-3-14-56(15-4-1)73(57-16-5-2-6-17-57)58-39-32-51(33-40-58)52-34-43-60(44-35-52)74(61-45-36-53(37-46-61)55-38-47-67-65-20-8-7-18-63(65)64-19-9-10-21-66(64)70(67)48-55)59-41-30-50(31-42-59)49-26-28-54(29-27-49)62-23-13-24-69-68-22-11-12-25-71(68)75-72(62)69/h1-50H;1-48H
InChIKeyWFLIUAVNIHCXKV-UHFFFAOYSA-N
MW1996.57 g/mol
LogP43.40
Rot. Bonds20

About 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

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 (PubChem CID 161489746) has the molecular formula C148H98N4S2 and a molecular weight of 1996.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID161489746
Molecular FormulaC148H98N4S2
Molecular Weight1996.57 g/mol
Exact Mass1994.72
IUPAC Name4-[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
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C76H50N2S.C72H48N2S/c1-2-16-59(17-3-1)78(74-26-12-15-56-14-4-5-18-64(56)74)63-47-36-54(37-48-63)53-34-43-61(44-35-53)77(62-45-38-55(39-46-62)58-40-49-70-68-21-7-6-19-66(68)67-20-8-9-22-69(67)73(70)50-58)60-41-32-52(33-42-60)51-28-30-57(31-29-51)65-24-13-25-72-71-23-10-11-27-75(71)79-76(65)72;1-3-14-56(15-4-1)73(57-16-5-2-6-17-57)58-39-32-51(33-40-58)52-34-43-60(44-35-52)74(61-45-36-53(37-46-61)55-38-47-67-65-20-8-7-18-63(65)64-19-9-10-21-66(64)70(67)48-55)59-41-30-50(31-42-59)49-26-28-54(29-27-49)62-23-13-24-69-68-22-11-12-25-71(68)75-72(62)69/h1-50H;1-48H
InChIKeyWFLIUAVNIHCXKV-UHFFFAOYSA-N
XLogP43.40
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001996.57
LogP ≤ 543.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
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-N-(3-dibenzothiophen-4-ylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 121323913
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392432
N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 159505056
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine
CID 158885148
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
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604907
N-[4-(8-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 176590511
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is WFLIUAVNIHCXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N2S.C72H48N2S/c1-2-16-59(17-3-1)78(74-26-12-15-56-14-4-5-18-64(56)74)63-47-36-54(37-48-63)53-34-43-61(44-35-53)77(62-45-38-55(39-46-62)58-40-49-70-68-21-7-6-19-66(68)67-20-8-9-22-69(67)73(70)50-58)60-41-32-52(33-42-60)51-28-30-57(31-29-51)65-24-13-25-72-71-23-10-11-27-75(71)79-76(65)72;1-3-14-56(15-4-1)73(57-16-5-2-6-17-57)58-39-32-51(33-40-58)52-34-43-60(44-35-52)74(61-45-36-53(37-46-61)55-38-47-67-65-20-8-7-18-63(65)64-19-9-10-21-66(64)70(67)48-55)59-41-30-50(31-42-59)49-26-28-54(29-27-49)62-23-13-24-69-68-22-11-12-25-71(68)75-72(62)69/h1-50H;1-48H.
What are the key properties of 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?
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 has a molecular weight of 1996.57 g/mol, XLogP of 43.40, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161489746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).