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

C96H68N6S2 — CID 163460336

IUPAC3-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
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5sc6ccc(-c7cccc(N(c8ccccc8)c8cccc(N(c9ccccc9)c9ccc(N(c%10ccccc%10)c%10cccc%11c%10sc%10ccccc%10%11)cc9)c8)c7)cc6c5c4)cc3)c2)cc1
InChIInChI=1S/C96H68N6S2/c1-8-29-71(30-9-1)97(72-31-10-2-11-32-72)83-44-25-45-84(66-83)98(73-33-12-3-13-34-73)78-53-55-80(56-54-78)100(75-37-16-5-17-38-75)87-61-63-95-91(68-87)90-65-70(52-62-94(90)103-95)69-28-24-43-82(64-69)101(76-39-18-6-19-40-76)86-47-26-46-85(67-86)99(74-35-14-4-15-36-74)79-57-59-81(60-58-79)102(77-41-20-7-21-42-77)92-50-27-49-89-88-48-22-23-51-93(88)104-96(89)92/h1-68H
InChIKeyBOANMCRBWMDMBV-UHFFFAOYSA-N
MW1369.78 g/mol
LogP28.91
Rot. Bonds19

About 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

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 (PubChem CID 163460336) has the molecular formula C96H68N6S2 and a molecular weight of 1369.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID163460336
Molecular FormulaC96H68N6S2
Molecular Weight1369.78 g/mol
Exact Mass1368.49
IUPAC Name3-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
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5sc6ccc(-c7cccc(N(c8ccccc8)c8cccc(N(c9ccccc9)c9ccc(N(c%10ccccc%10)c%10cccc%11c%10sc%10ccccc%10%11)cc9)c8)c7)cc6c5c4)cc3)c2)cc1
InChIInChI=1S/C96H68N6S2/c1-8-29-71(30-9-1)97(72-31-10-2-11-32-72)83-44-25-45-84(66-83)98(73-33-12-3-13-34-73)78-53-55-80(56-54-78)100(75-37-16-5-17-38-75)87-61-63-95-91(68-87)90-65-70(52-62-94(90)103-95)69-28-24-43-82(64-69)101(76-39-18-6-19-40-76)86-47-26-46-85(67-86)99(74-35-14-4-15-36-74)79-57-59-81(60-58-79)102(77-41-20-7-21-42-77)92-50-27-49-89-88-48-22-23-51-93(88)104-96(89)92/h1-68H
InChIKeyBOANMCRBWMDMBV-UHFFFAOYSA-N
XLogP28.91
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.78
LogP ≤ 528.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784
N-dibenzothiophen-4-yl-N-[4-[4-[di(dibenzothiophen-4-yl)amino]phenyl]phenyl]dibenzothiophen-4-amine;N-[4-[4-[dibenzothiophen-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-2-amine;N-[4-[4-[dibenzothiophen-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-4-amine;N-[4-[4-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzothiophen-2-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158061684
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 165032773
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5sc6ccc(-c7cccc(N(c8ccccc8)c8cccc(N(c9ccccc9)c9ccc(N(c%10ccccc%10)c%10cccc%11c%10sc%10ccccc%10%11)cc9)c8)c7)cc6c5c4)cc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is BOANMCRBWMDMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H68N6S2/c1-8-29-71(30-9-1)97(72-31-10-2-11-32-72)83-44-25-45-84(66-83)98(73-33-12-3-13-34-73)78-53-55-80(56-54-78)100(75-37-16-5-17-38-75)87-61-63-95-91(68-87)90-65-70(52-62-94(90)103-95)69-28-24-43-82(64-69)101(76-39-18-6-19-40-76)86-47-26-46-85(67-86)99(74-35-14-4-15-36-74)79-57-59-81(60-58-79)102(77-41-20-7-21-42-77)92-50-27-49-89-88-48-22-23-51-93(88)104-96(89)92/h1-68H.
What are the key properties of 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?
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 has a molecular weight of 1369.78 g/mol, XLogP of 28.91, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163460336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).