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

C150H99N5S5 — CID 158485457

IUPAC4-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
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c6ccc(-c7cccc8c7sc7ccccc78)cc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1.c1ccc2c(c1)sc1c(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C96H66N4S2.C54H33NS3/c1-5-19-75(20-6-1)97(76-21-7-2-8-22-76)79-51-35-67(36-52-79)69-39-55-81(56-40-69)99(85-63-47-73(48-64-85)87-29-17-31-91-89-27-13-15-33-93(89)101-95(87)91)83-59-43-71(44-60-83)72-45-61-84(62-46-72)100(86-65-49-74(50-66-86)88-30-18-32-92-90-28-14-16-34-94(90)102-96(88)92)82-57-41-70(42-58-82)68-37-53-80(54-38-68)98(77-23-9-3-10-24-77)78-25-11-4-12-26-78;1-4-19-49-43(10-1)46-16-7-13-40(52(46)56-49)34-22-28-37(29-23-34)55(38-30-24-35(25-31-38)41-14-8-17-47-44-11-2-5-20-50(44)57-53(41)47)39-32-26-36(27-33-39)42-15-9-18-48-45-12-3-6-21-51(45)58-54(42)48/h1-66H;1-33H
InChIKeyHIAUEDOAUDBQLC-UHFFFAOYSA-N
MW2131.81 g/mol
LogP45.90
Rot. Bonds23

About 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

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 (PubChem CID 158485457) has the molecular formula C150H99N5S5 and a molecular weight of 2131.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158485457
Molecular FormulaC150H99N5S5
Molecular Weight2131.81 g/mol
Exact Mass2129.65
IUPAC Name4-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
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c6ccc(-c7cccc8c7sc7ccccc78)cc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1.c1ccc2c(c1)sc1c(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C96H66N4S2.C54H33NS3/c1-5-19-75(20-6-1)97(76-21-7-2-8-22-76)79-51-35-67(36-52-79)69-39-55-81(56-40-69)99(85-63-47-73(48-64-85)87-29-17-31-91-89-27-13-15-33-93(89)101-95(87)91)83-59-43-71(44-60-83)72-45-61-84(62-46-72)100(86-65-49-74(50-66-86)88-30-18-32-92-90-28-14-16-34-94(90)102-96(88)92)82-57-41-70(42-58-82)68-37-53-80(54-38-68)98(77-23-9-3-10-24-77)78-25-11-4-12-26-78;1-4-19-49-43(10-1)46-16-7-13-40(52(46)56-49)34-22-28-37(29-23-34)55(38-30-24-35(25-31-38)41-14-8-17-47-44-11-2-5-20-50(44)57-53(41)47)39-32-26-36(27-33-39)42-15-9-18-48-45-12-3-6-21-51(45)58-54(42)48/h1-66H;1-33H
InChIKeyHIAUEDOAUDBQLC-UHFFFAOYSA-N
XLogP45.90
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002131.81
LogP ≤ 545.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c6ccc(-c7cccc8c7sc7ccccc78)cc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1.c1ccc2c(c1)sc1c(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cccc12.
What is the InChIKey of 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?
The InChIKey is HIAUEDOAUDBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H66N4S2.C54H33NS3/c1-5-19-75(20-6-1)97(76-21-7-2-8-22-76)79-51-35-67(36-52-79)69-39-55-81(56-40-69)99(85-63-47-73(48-64-85)87-29-17-31-91-89-27-13-15-33-93(89)101-95(87)91)83-59-43-71(44-60-83)72-45-61-84(62-46-72)100(86-65-49-74(50-66-86)88-30-18-32-92-90-28-14-16-34-94(90)102-96(88)92)82-57-41-70(42-58-82)68-37-53-80(54-38-68)98(77-23-9-3-10-24-77)78-25-11-4-12-26-78;1-4-19-49-43(10-1)46-16-7-13-40(52(46)56-49)34-22-28-37(29-23-34)55(38-30-24-35(25-31-38)41-14-8-17-47-44-11-2-5-20-50(44)57-53(41)47)39-32-26-36(27-33-39)42-15-9-18-48-45-12-3-6-21-51(45)58-54(42)48/h1-66H;1-33H.
What are the key properties of 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?
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 has a molecular weight of 2131.81 g/mol, XLogP of 45.90, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158485457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).