2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine

C176H123N9OS3 — CID 157356012

IUPAC2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccccc6N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)cc2)cc1
InChIInChI=1S/C64H43N3OS.C58H41N3S.C54H39N3S/c1-4-19-47(20-5-1)65(48-21-6-2-7-22-48)50-34-31-44(32-35-50)46-33-39-63-56(41-46)57-42-51(37-40-64(57)69-63)66(52-36-38-55-54-26-12-15-30-61(54)68-62(55)43-52)59-27-13-14-28-60(59)67(49-23-8-3-9-24-49)58-29-16-18-45-17-10-11-25-53(45)58;1-5-20-45(21-6-1)59(46-22-7-2-8-23-46)49-35-32-42(33-36-49)44-34-38-57-52(40-44)53-41-50(37-39-58(53)62-57)60(47-24-9-3-10-25-47)55-29-15-16-30-56(55)61(48-26-11-4-12-27-48)54-31-17-19-43-18-13-14-28-51(43)54;1-6-17-42(18-7-1)55(43-19-8-2-9-20-43)47-32-29-40(30-33-47)41-31-35-53-51(37-41)52-39-50(34-36-54(52)58-53)57(46-25-14-5-15-26-46)49-28-16-27-48(38-49)56(44-21-10-3-11-22-44)45-23-12-4-13-24-45/h1-43H;1-41H;1-39H
InChIKeyBIBYXYFGUPVTMF-UHFFFAOYSA-N
MW2476.18 g/mol
LogP52.60
Rot. Bonds30

About 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine

2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine (PubChem CID 157356012) has the molecular formula C176H123N9OS3 and a molecular weight of 2476.18 g/mol. Its IUPAC name is 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine
PubChem CID157356012
Molecular FormulaC176H123N9OS3
Molecular Weight2476.18 g/mol
Exact Mass2473.90
IUPAC Name2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccccc6N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)cc2)cc1
InChIInChI=1S/C64H43N3OS.C58H41N3S.C54H39N3S/c1-4-19-47(20-5-1)65(48-21-6-2-7-22-48)50-34-31-44(32-35-50)46-33-39-63-56(41-46)57-42-51(37-40-64(57)69-63)66(52-36-38-55-54-26-12-15-30-61(54)68-62(55)43-52)59-27-13-14-28-60(59)67(49-23-8-3-9-24-49)58-29-16-18-45-17-10-11-25-53(45)58;1-5-20-45(21-6-1)59(46-22-7-2-8-23-46)49-35-32-42(33-36-49)44-34-38-57-52(40-44)53-41-50(37-39-58(53)62-57)60(47-24-9-3-10-25-47)55-29-15-16-30-56(55)61(48-26-11-4-12-27-48)54-31-17-19-43-18-13-14-28-51(43)54;1-6-17-42(18-7-1)55(43-19-8-2-9-20-43)47-32-29-40(30-33-47)41-31-35-53-51(37-41)52-39-50(34-36-54(52)58-53)57(46-25-14-5-15-26-46)49-28-16-27-48(38-49)56(44-21-10-3-11-22-44)45-23-12-4-13-24-45/h1-43H;1-41H;1-39H
InChIKeyBIBYXYFGUPVTMF-UHFFFAOYSA-N
XLogP52.60
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002476.18
LogP ≤ 552.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine with MolForge

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485
8-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;8-dibenzofuran-2-yl-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine;8-dibenzothiophen-2-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161143692
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 160604372
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 121383327
7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 121383334
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170666103
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine?
The IUPAC name of 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine (CID 157356012) is 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine?
The canonical SMILES for 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccccc6N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6N(c6ccccc6)c6cccc7ccccc67)cc5c4c3)cc2)cc1.
What is the InChIKey of 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine?
The InChIKey is BIBYXYFGUPVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3OS.C58H41N3S.C54H39N3S/c1-4-19-47(20-5-1)65(48-21-6-2-7-22-48)50-34-31-44(32-35-50)46-33-39-63-56(41-46)57-42-51(37-40-64(57)69-63)66(52-36-38-55-54-26-12-15-30-61(54)68-62(55)43-52)59-27-13-14-28-60(59)67(49-23-8-3-9-24-49)58-29-16-18-45-17-10-11-25-53(45)58;1-5-20-45(21-6-1)59(46-22-7-2-8-23-46)49-35-32-42(33-36-49)44-34-38-57-52(40-44)53-41-50(37-39-58(53)62-57)60(47-24-9-3-10-25-47)55-29-15-16-30-56(55)61(48-26-11-4-12-27-48)54-31-17-19-43-18-13-14-28-51(43)54;1-6-17-42(18-7-1)55(43-19-8-2-9-20-43)47-32-29-40(30-33-47)41-31-35-53-51(37-41)52-39-50(34-36-54(52)58-53)57(46-25-14-5-15-26-46)49-28-16-27-48(38-49)56(44-21-10-3-11-22-44)45-23-12-4-13-24-45/h1-43H;1-41H;1-39H.
What are the key properties of 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine?
2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine has a molecular weight of 2476.18 g/mol, XLogP of 52.60, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 157356012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).