8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine

C34H24N2S — CID 131979973

IUPAC8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
SMILESc1ccc(Nc2ccc3sc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C34H24N2S/c1-3-12-25(13-4-1)35-26-18-20-33-30(22-26)31-23-28(19-21-34(31)37-33)36(27-14-5-2-6-15-27)32-17-9-11-24-10-7-8-16-29(24)32/h1-23,35H
InChIKeyDWWZBOAZWRHAEY-UHFFFAOYSA-N
MW492.65 g/mol
LogP10.42
Rot. Bonds5

About 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine

8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine (PubChem CID 131979973) has the molecular formula C34H24N2S and a molecular weight of 492.65 g/mol. Its IUPAC name is 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine.

Molecular Properties

Compound Name8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
PubChem CID131979973
Molecular FormulaC34H24N2S
Molecular Weight492.65 g/mol
Exact Mass492.17
IUPAC Name8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
SMILESc1ccc(Nc2ccc3sc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C34H24N2S/c1-3-12-25(13-4-1)35-26-18-20-33-30(22-26)31-23-28(19-21-34(31)37-33)36(27-14-5-2-6-15-27)32-17-9-11-24-10-7-8-16-29(24)32/h1-23,35H
InChIKeyDWWZBOAZWRHAEY-UHFFFAOYSA-N
XLogP10.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 510.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 160961200
5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine
CID 129194520
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
7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
CID 155773213
N-naphthalen-1-yl-N-phenyl-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-amine
CID 130465034
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-phenylnaphthalen-1-amine
CID 118405930
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
1-N-dibenzothiophen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine
CID 167067409
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

Frequently Asked Questions

What is the IUPAC name of 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine?
The IUPAC name of 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine (CID 131979973) is 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine.
What is the SMILES notation for 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine?
The canonical SMILES for 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine is c1ccc(Nc2ccc3sc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c3c2)cc1.
What is the InChIKey of 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine?
The InChIKey is DWWZBOAZWRHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2S/c1-3-12-25(13-4-1)35-26-18-20-33-30(22-26)31-23-28(19-21-34(31)37-33)36(27-14-5-2-6-15-27)32-17-9-11-24-10-7-8-16-29(24)32/h1-23,35H.
What are the key properties of 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine?
8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine has a molecular weight of 492.65 g/mol, XLogP of 10.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine is sourced from PubChem (CID 131979973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).