2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine

C66H42N2S2 — CID 158092286

IUPAC2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
SMILESc1ccc(-c2cc3cc(-c4ccccc4)c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc3cc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C66H42N2S2/c1-3-17-45(18-4-1)57-37-47-38-58(46-19-5-2-6-20-46)62(68(60-30-16-24-44-22-8-10-26-52(44)60)50-34-36-56-54-28-12-14-32-64(54)70-66(56)42-50)40-48(47)39-61(57)67(59-29-15-23-43-21-7-9-25-51(43)59)49-33-35-55-53-27-11-13-31-63(53)69-65(55)41-49/h1-42H
InChIKeyNAAMMFXGFGRKBP-UHFFFAOYSA-N
MW927.21 g/mol
LogP20.16
Rot. Bonds8

About 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine

2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine (PubChem CID 158092286) has the molecular formula C66H42N2S2 and a molecular weight of 927.21 g/mol. Its IUPAC name is 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
PubChem CID158092286
Molecular FormulaC66H42N2S2
Molecular Weight927.21 g/mol
Exact Mass926.28
IUPAC Name2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
SMILESc1ccc(-c2cc3cc(-c4ccccc4)c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc3cc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C66H42N2S2/c1-3-17-45(18-4-1)57-37-47-38-58(46-19-5-2-6-20-46)62(68(60-30-16-24-44-22-8-10-26-52(44)60)50-34-36-56-54-28-12-14-32-64(54)70-66(56)42-50)40-48(47)39-61(57)67(59-29-15-23-43-21-7-9-25-51(43)59)49-33-35-55-53-27-11-13-31-63(53)69-65(55)41-49/h1-42H
InChIKeyNAAMMFXGFGRKBP-UHFFFAOYSA-N
XLogP20.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.21
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177128358
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
CID 158058609
N-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)-7-[6-(4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)triphenylen-2-yl]dibenzothiophen-3-amine
CID 138708136
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167235897
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
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469
N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 155133247
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235674
N-naphthalen-1-yl-N-(3-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzothiophen-3-amine
CID 164950058

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine?
The IUPAC name of 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine (CID 158092286) is 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine?
The canonical SMILES for 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine is c1ccc(-c2cc3cc(-c4ccccc4)c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cc3cc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine?
The InChIKey is NAAMMFXGFGRKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2S2/c1-3-17-45(18-4-1)57-37-47-38-58(46-19-5-2-6-20-46)62(68(60-30-16-24-44-22-8-10-26-52(44)60)50-34-36-56-54-28-12-14-32-64(54)70-66(56)42-50)40-48(47)39-61(57)67(59-29-15-23-43-21-7-9-25-51(43)59)49-33-35-55-53-27-11-13-31-63(53)69-65(55)41-49/h1-42H.
What are the key properties of 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine?
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine has a molecular weight of 927.21 g/mol, XLogP of 20.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine is sourced from PubChem (CID 158092286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).