7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine

C176H123N9S4 — CID 161361054

IUPAC7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C68H47N3S.C54H37N3S2.C54H39N3S/c1-4-15-48(16-5-1)52-27-33-57(34-28-52)69(58-35-29-53(30-36-58)49-17-6-2-7-18-49)59-25-14-26-60(45-59)71(62-38-32-51-20-11-13-22-55(51)44-62)64-39-41-65-66-46-63(40-42-67(66)72-68(65)47-64)70(56-23-8-3-9-24-56)61-37-31-50-19-10-12-21-54(50)43-61;1-5-16-38(17-6-1)55(39-18-7-2-8-19-39)44-29-33-53-50(35-44)48-31-28-46(37-54(48)59-53)57(41-22-11-4-12-23-41)43-25-15-24-42(34-43)56(40-20-9-3-10-21-40)45-30-32-52-49(36-45)47-26-13-14-27-51(47)58-52;1-6-17-40(18-7-1)41-29-31-46(32-30-41)57(48-28-16-27-47(37-48)55(42-19-8-2-9-20-42)43-21-10-3-11-22-43)50-33-35-51-52-38-49(34-36-53(52)58-54(51)39-50)56(44-23-12-4-13-24-44)45-25-14-5-15-26-45/h1-47H;1-37H;1-39H
InChIKeyVPEHMQWKUANBPL-UHFFFAOYSA-N
MW2492.25 g/mol
LogP53.07
Rot. Bonds30

About 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine

7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine (PubChem CID 161361054) has the molecular formula C176H123N9S4 and a molecular weight of 2492.25 g/mol. Its IUPAC name is 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
PubChem CID161361054
Molecular FormulaC176H123N9S4
Molecular Weight2492.25 g/mol
Exact Mass2489.88
IUPAC Name7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C68H47N3S.C54H37N3S2.C54H39N3S/c1-4-15-48(16-5-1)52-27-33-57(34-28-52)69(58-35-29-53(30-36-58)49-17-6-2-7-18-49)59-25-14-26-60(45-59)71(62-38-32-51-20-11-13-22-55(51)44-62)64-39-41-65-66-46-63(40-42-67(66)72-68(65)47-64)70(56-23-8-3-9-24-56)61-37-31-50-19-10-12-21-54(50)43-61;1-5-16-38(17-6-1)55(39-18-7-2-8-19-39)44-29-33-53-50(35-44)48-31-28-46(37-54(48)59-53)57(41-22-11-4-12-23-41)43-25-15-24-42(34-43)56(40-20-9-3-10-21-40)45-30-32-52-49(36-45)47-26-13-14-27-51(47)58-52;1-6-17-40(18-7-1)41-29-31-46(32-30-41)57(48-28-16-27-47(37-48)55(42-19-8-2-9-20-42)43-21-10-3-11-22-43)50-33-35-51-52-38-49(34-36-53(52)58-54(51)39-50)56(44-23-12-4-13-24-44)45-25-14-5-15-26-45/h1-47H;1-37H;1-39H
InChIKeyVPEHMQWKUANBPL-UHFFFAOYSA-N
XLogP53.07
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.25
LogP ≤ 553.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine with MolForge

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Related Compounds

7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767046
3-N-(4-dibenzothiophen-2-ylphenyl)-3-N-naphthalen-2-yl-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604927
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
5-bromo-3-N-dibenzothiophen-3-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134471585
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174256225
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915

Frequently Asked Questions

What is the IUPAC name of 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine (CID 161361054) is 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.
What is the InChIKey of 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The InChIKey is VPEHMQWKUANBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N3S.C54H37N3S2.C54H39N3S/c1-4-15-48(16-5-1)52-27-33-57(34-28-52)69(58-35-29-53(30-36-58)49-17-6-2-7-18-49)59-25-14-26-60(45-59)71(62-38-32-51-20-11-13-22-55(51)44-62)64-39-41-65-66-46-63(40-42-67(66)72-68(65)47-64)70(56-23-8-3-9-24-56)61-37-31-50-19-10-12-21-54(50)43-61;1-5-16-38(17-6-1)55(39-18-7-2-8-19-39)44-29-33-53-50(35-44)48-31-28-46(37-54(48)59-53)57(41-22-11-4-12-23-41)43-25-15-24-42(34-43)56(40-20-9-3-10-21-40)45-30-32-52-49(36-45)47-26-13-14-27-51(47)58-52;1-6-17-40(18-7-1)41-29-31-46(32-30-41)57(48-28-16-27-47(37-48)55(42-19-8-2-9-20-42)43-21-10-3-11-22-43)50-33-35-51-52-38-49(34-36-53(52)58-54(51)39-50)56(44-23-12-4-13-24-44)45-25-14-5-15-26-45/h1-47H;1-37H;1-39H.
What are the key properties of 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine has a molecular weight of 2492.25 g/mol, XLogP of 53.07, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine is sourced from PubChem (CID 161361054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).