7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine

C122H86N6S2 — CID 158389686

IUPAC7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2cccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c2)c2ccc3sc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3c2)c([2H])c1[2H].c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c4c3)c2)cc1
InChIInChI=1S/C62H43N3S.C60H43N3S/c1-5-17-44(18-6-1)49-39-57(63(50-23-7-2-8-24-50)51-25-9-3-10-26-51)41-58(40-49)64(52-27-11-4-12-28-52)55-34-36-61-60(42-55)59-35-33-56(43-62(59)66-61)65(53-31-29-45-19-13-15-21-47(45)37-53)54-32-30-46-20-14-16-22-48(46)38-54;1-6-17-44(18-7-1)46-29-33-51(34-30-46)61(48-21-10-3-11-22-48)53-27-16-28-54(41-53)63(50-25-14-5-15-26-50)55-38-40-59-58(42-55)57-39-37-56(43-60(57)64-59)62(49-23-12-4-13-24-49)52-35-31-47(32-36-52)45-19-8-2-9-20-45/h1-43H;1-43H/i;5D,14D,15D,25D,26D
InChIKeyGWULJTLOTGHUBV-KCFYGUKRSA-N
MW1705.24 g/mol
LogP36.24
Rot. Bonds21

About 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine

7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine (PubChem CID 158389686) has the molecular formula C122H86N6S2 and a molecular weight of 1705.24 g/mol. Its IUPAC name is 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine
PubChem CID158389686
Molecular FormulaC122H86N6S2
Molecular Weight1705.24 g/mol
Exact Mass1703.67
IUPAC Name7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2cccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c2)c2ccc3sc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3c2)c([2H])c1[2H].c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c4c3)c2)cc1
InChIInChI=1S/C62H43N3S.C60H43N3S/c1-5-17-44(18-6-1)49-39-57(63(50-23-7-2-8-24-50)51-25-9-3-10-26-51)41-58(40-49)64(52-27-11-4-12-28-52)55-34-36-61-60(42-55)59-35-33-56(43-62(59)66-61)65(53-31-29-45-19-13-15-21-47(45)37-53)54-32-30-46-20-14-16-22-48(46)38-54;1-6-17-44(18-7-1)46-29-33-51(34-30-46)61(48-21-10-3-11-22-48)53-27-16-28-54(41-53)63(50-25-14-5-15-26-50)55-38-40-59-58(42-55)57-39-37-56(43-60(57)64-59)62(49-23-12-4-13-24-49)52-35-31-47(32-36-52)45-19-8-2-9-20-45/h1-43H;1-43H/i;5D,14D,15D,25D,26D
InChIKeyGWULJTLOTGHUBV-KCFYGUKRSA-N
XLogP36.24
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001705.24
LogP ≤ 536.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine with MolForge

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Related Compounds

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
3-N-[3-naphthalen-2-yl-5-(N-phenylanilino)phenyl]-1-N,1-N,5-triphenyl-3-N-(8-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 134198236
7-N-[8-[dibenzofuran-4-yl(naphthalen-2-yl)amino]dibenzothiophen-3-yl]-7-N-naphthalen-1-yl-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N-phenyldibenzothiophene-2,7-diamine;7-N-[8-(N-dibenzothiophen-3-yl-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 160895207
8-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-8-N-[3-(N-phenylanilino)phenyl]dibenzothiophene-2,8-diamine
CID 157193783
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-(3,5-diphenylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166566179
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-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
5-bromo-3-N-dibenzothiophen-3-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 122634272
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873

Frequently Asked Questions

What is the IUPAC name of 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine?
The IUPAC name of 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine (CID 158389686) is 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine is [2H]c1c([2H])c([2H])c(N(c2cccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c2)c2ccc3sc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3c2)c([2H])c1[2H].c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c4c3)c2)cc1.
What is the InChIKey of 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine?
The InChIKey is GWULJTLOTGHUBV-KCFYGUKRSA-N. The full InChI is InChI=1S/C62H43N3S.C60H43N3S/c1-5-17-44(18-6-1)49-39-57(63(50-23-7-2-8-24-50)51-25-9-3-10-26-51)41-58(40-49)64(52-27-11-4-12-28-52)55-34-36-61-60(42-55)59-35-33-56(43-62(59)66-61)65(53-31-29-45-19-13-15-21-47(45)37-53)54-32-30-46-20-14-16-22-48(46)38-54;1-6-17-44(18-7-1)46-29-33-51(34-30-46)61(48-21-10-3-11-22-48)53-27-16-28-54(41-53)63(50-25-14-5-15-26-50)55-38-40-59-58(42-55)57-39-37-56(43-60(57)64-59)62(49-23-12-4-13-24-49)52-35-31-47(32-36-52)45-19-8-2-9-20-45/h1-43H;1-43H/i;5D,14D,15D,25D,26D.
What are the key properties of 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine?
7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine has a molecular weight of 1705.24 g/mol, XLogP of 36.24, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,7-N-dinaphthalen-2-yl-2-N-phenyl-2-N-[3-phenyl-5-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine;2-N-(2,3,4,5,6-pentadeuteriophenyl)-7-N-phenyl-7-N-(4-phenylphenyl)-2-N-[3-(N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine is sourced from PubChem (CID 158389686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).