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

C272H180N6S8 — CID 161495248

IUPACN,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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6cc(-c7cccc8c7sc7ccccc78)ccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5ccccc5c4)cc3)ccc2c1
InChIInChI=1S/C54H35NS2.C48H31NS2.C46H31NS.2C44H29NS.C36H25NS/c1-3-12-36(13-4-1)38-24-26-39(27-25-38)41-17-10-19-44(33-41)55(43-18-9-16-40(32-43)37-14-5-2-6-15-37)45-29-31-52-50(35-45)48-30-28-42(34-53(48)56-52)46-21-11-22-49-47-20-7-8-23-51(47)57-54(46)49;1-2-13-32(14-3-1)33-15-8-18-36(29-33)49(37-19-9-16-34(30-37)39-23-11-25-43-41-21-4-6-27-45(41)50-47(39)43)38-20-10-17-35(31-38)40-24-12-26-44-42-22-5-7-28-46(42)51-48(40)44;1-2-10-32(11-3-1)33-20-22-34(23-21-33)35-24-28-38(29-25-35)47(44-18-8-13-36-12-4-5-14-40(36)44)39-30-26-37(27-31-39)41-16-9-17-43-42-15-6-7-19-45(42)48-46(41)43;1-3-13-37-31(9-1)11-7-16-38(37)33-21-26-36(27-22-33)45(42-17-8-12-32-10-2-4-14-39(32)42)35-24-19-30(20-25-35)34-23-28-41-40-15-5-6-18-43(40)46-44(41)29-34;1-3-9-34-27-36(14-13-30(34)7-1)32-15-21-38(22-16-32)45(40-25-19-31-8-2-4-10-35(31)28-40)39-23-17-33(18-24-39)37-20-26-44-42(29-37)41-11-5-6-12-43(41)46-44;1-3-11-26(12-4-1)27-21-23-30(24-22-27)37(29-14-5-2-6-15-29)31-16-9-13-28(25-31)32-18-10-19-34-33-17-7-8-20-35(33)38-36(32)34/h1-35H;1-31H;1-31H;2*1-29H;1-25H
InChIKeyWGCNKDZUVFNAKK-UHFFFAOYSA-N
MW3789.01 g/mol
LogP82.32
Rot. Bonds34

About 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

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 (PubChem CID 161495248) has the molecular formula C272H180N6S8 and a molecular weight of 3789.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID161495248
Molecular FormulaC272H180N6S8
Molecular Weight3789.01 g/mol
Exact Mass3785.20
IUPAC NameN,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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6cc(-c7cccc8c7sc7ccccc78)ccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5ccccc5c4)cc3)ccc2c1
InChIInChI=1S/C54H35NS2.C48H31NS2.C46H31NS.2C44H29NS.C36H25NS/c1-3-12-36(13-4-1)38-24-26-39(27-25-38)41-17-10-19-44(33-41)55(43-18-9-16-40(32-43)37-14-5-2-6-15-37)45-29-31-52-50(35-45)48-30-28-42(34-53(48)56-52)46-21-11-22-49-47-20-7-8-23-51(47)57-54(46)49;1-2-13-32(14-3-1)33-15-8-18-36(29-33)49(37-19-9-16-34(30-37)39-23-11-25-43-41-21-4-6-27-45(41)50-47(39)43)38-20-10-17-35(31-38)40-24-12-26-44-42-22-5-7-28-46(42)51-48(40)44;1-2-10-32(11-3-1)33-20-22-34(23-21-33)35-24-28-38(29-25-35)47(44-18-8-13-36-12-4-5-14-40(36)44)39-30-26-37(27-31-39)41-16-9-17-43-42-15-6-7-19-45(42)48-46(41)43;1-3-13-37-31(9-1)11-7-16-38(37)33-21-26-36(27-22-33)45(42-17-8-12-32-10-2-4-14-39(32)42)35-24-19-30(20-25-35)34-23-28-41-40-15-5-6-18-43(40)46-44(41)29-34;1-3-9-34-27-36(14-13-30(34)7-1)32-15-21-38(22-16-32)45(40-25-19-31-8-2-4-10-35(31)28-40)39-23-17-33(18-24-39)37-20-26-44-42(29-37)41-11-5-6-12-43(41)46-44;1-3-11-26(12-4-1)27-21-23-30(24-22-27)37(29-14-5-2-6-15-29)31-16-9-13-28(25-31)32-18-10-19-34-33-17-7-8-20-35(33)38-36(32)34/h1-35H;1-31H;1-31H;2*1-29H;1-25H
InChIKeyWGCNKDZUVFNAKK-UHFFFAOYSA-N
XLogP82.32
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms286
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003789.01
LogP ≤ 582.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6cc(-c7cccc8c7sc7ccccc78)ccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5ccccc5c4)cc3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is WGCNKDZUVFNAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2.C48H31NS2.C46H31NS.2C44H29NS.C36H25NS/c1-3-12-36(13-4-1)38-24-26-39(27-25-38)41-17-10-19-44(33-41)55(43-18-9-16-40(32-43)37-14-5-2-6-15-37)45-29-31-52-50(35-45)48-30-28-42(34-53(48)56-52)46-21-11-22-49-47-20-7-8-23-51(47)57-54(46)49;1-2-13-32(14-3-1)33-15-8-18-36(29-33)49(37-19-9-16-34(30-37)39-23-11-25-43-41-21-4-6-27-45(41)50-47(39)43)38-20-10-17-35(31-38)40-24-12-26-44-42-22-5-7-28-46(42)51-48(40)44;1-2-10-32(11-3-1)33-20-22-34(23-21-33)35-24-28-38(29-25-35)47(44-18-8-13-36-12-4-5-14-40(36)44)39-30-26-37(27-31-39)41-16-9-17-43-42-15-6-7-19-45(42)48-46(41)43;1-3-13-37-31(9-1)11-7-16-38(37)33-21-26-36(27-22-33)45(42-17-8-12-32-10-2-4-14-39(32)42)35-24-19-30(20-25-35)34-23-28-41-40-15-5-6-18-43(40)46-44(41)29-34;1-3-9-34-27-36(14-13-30(34)7-1)32-15-21-38(22-16-32)45(40-25-19-31-8-2-4-10-35(31)28-40)39-23-17-33(18-24-39)37-20-26-44-42(29-37)41-11-5-6-12-43(41)46-44;1-3-11-26(12-4-1)27-21-23-30(24-22-27)37(29-14-5-2-6-15-29)31-16-9-13-28(25-31)32-18-10-19-34-33-17-7-8-20-35(33)38-36(32)34/h1-35H;1-31H;1-31H;2*1-29H;1-25H.
What are the key properties of 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?
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 has a molecular weight of 3789.01 g/mol, XLogP of 82.32, 34 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161495248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).