1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine

C162H111N9S6 — CID 163676818

IUPAC1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccccc23)c2cccc3c2sc2cccc(N(c4ccccc4)c4ccccc4)c23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)c3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)c6c(c5)sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/3C54H37N3S2/c1-6-20-38(21-7-1)55(39-22-8-2-9-23-39)46-32-19-35-50-53(46)45-31-18-33-47(54(45)59-50)57(42-28-14-5-15-29-42)43-36-48(52-44-30-16-17-34-49(44)58-51(52)37-43)56(40-24-10-3-11-25-40)41-26-12-4-13-27-41;1-6-19-38(20-7-1)55(39-21-8-2-9-22-39)43-33-34-50-46(35-43)54-47(30-18-32-51(54)58-50)57(42-27-14-5-15-28-42)48-36-44(37-52-53(48)45-29-16-17-31-49(45)59-52)56(40-23-10-3-11-24-40)41-25-12-4-13-26-41;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)43-30-32-51-47(34-43)48-35-44(31-33-52(48)58-51)56(40-22-10-3-11-23-40)45-36-49(54-46-28-16-17-29-50(46)59-53(54)37-45)57(41-24-12-4-13-25-41)42-26-14-5-15-27-42/h3*1-37H
InChIKeyJHJLWZHQGXPXJG-UHFFFAOYSA-N
MW2376.13 g/mol
LogP50.50
Rot. Bonds27

About 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine

1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine (PubChem CID 163676818) has the molecular formula C162H111N9S6 and a molecular weight of 2376.13 g/mol. Its IUPAC name is 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
PubChem CID163676818
Molecular FormulaC162H111N9S6
Molecular Weight2376.13 g/mol
Exact Mass2373.73
IUPAC Name1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccccc23)c2cccc3c2sc2cccc(N(c4ccccc4)c4ccccc4)c23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)c3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)c6c(c5)sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/3C54H37N3S2/c1-6-20-38(21-7-1)55(39-22-8-2-9-23-39)46-32-19-35-50-53(46)45-31-18-33-47(54(45)59-50)57(42-28-14-5-15-29-42)43-36-48(52-44-30-16-17-34-49(44)58-51(52)37-43)56(40-24-10-3-11-25-40)41-26-12-4-13-27-41;1-6-19-38(20-7-1)55(39-21-8-2-9-22-39)43-33-34-50-46(35-43)54-47(30-18-32-51(54)58-50)57(42-27-14-5-15-28-42)48-36-44(37-52-53(48)45-29-16-17-31-49(45)59-52)56(40-23-10-3-11-24-40)41-25-12-4-13-26-41;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)43-30-32-51-47(34-43)48-35-44(31-33-52(48)58-51)56(40-22-10-3-11-23-40)45-36-49(54-46-28-16-17-29-50(46)59-53(54)37-45)57(41-24-12-4-13-25-41)42-26-14-5-15-27-42/h3*1-37H
InChIKeyJHJLWZHQGXPXJG-UHFFFAOYSA-N
XLogP50.50
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002376.13
LogP ≤ 550.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine with MolForge

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
1-N,1-N,3-N-triphenyl-3-N-[6-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 146550696
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 161330703
CID 174025075
CID 174025075
1-N-naphtho[1,2-b][1]benzothiol-8-yl-1-N,3-N-diphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-1,3-diamine
CID 146550645
3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine
CID 158125494
9-N-dibenzothiophen-2-yl-7-N-dibenzothiophen-3-yl-5-N,5-N,7-N,9-N-tetraphenylnaphtho[1,2-b][1]benzothiole-5,7,9-triamine
CID 155172859
6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine
CID 146551054
7-N-dibenzothiophen-1-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-phenanthren-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 159620715
3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
CID 160969253
1-N-dibenzofuran-3-yl-1-N,8-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 146580399
3-N-[4-(N-[8-[3-(N-[3-(N-[4-(N-dibenzothiophen-4-ylanilino)phenyl]anilino)phenyl]anilino)phenyl]dibenzothiophen-2-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 163460336

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine (CID 163676818) is 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine is c1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccccc23)c2cccc3c2sc2cccc(N(c4ccccc4)c4ccccc4)c23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)c3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)c6c(c5)sc5ccccc56)cc4c3c2)cc1.
What is the InChIKey of 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine?
The InChIKey is JHJLWZHQGXPXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C54H37N3S2/c1-6-20-38(21-7-1)55(39-22-8-2-9-23-39)46-32-19-35-50-53(46)45-31-18-33-47(54(45)59-50)57(42-28-14-5-15-29-42)43-36-48(52-44-30-16-17-34-49(44)58-51(52)37-43)56(40-24-10-3-11-25-40)41-26-12-4-13-27-41;1-6-19-38(20-7-1)55(39-21-8-2-9-22-39)43-33-34-50-46(35-43)54-47(30-18-32-51(54)58-50)57(42-27-14-5-15-28-42)48-36-44(37-52-53(48)45-29-16-17-31-49(45)59-52)56(40-23-10-3-11-24-40)41-25-12-4-13-26-41;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)43-30-32-51-47(34-43)48-35-44(31-33-52(48)58-51)56(40-22-10-3-11-23-40)45-36-49(54-46-28-16-17-29-50(46)59-53(54)37-45)57(41-24-12-4-13-25-41)42-26-14-5-15-27-42/h3*1-37H.
What are the key properties of 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine?
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine has a molecular weight of 2376.13 g/mol, XLogP of 50.50, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine is sourced from PubChem (CID 163676818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).