7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine

C40H28N2S — CID 146574134

IUPAC7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c3c2)cc1
InChIInChI=1S/C40H28N2S/c1-4-15-30(16-5-1)41(31-17-6-2-7-18-31)33-24-26-39-37(27-33)36-25-23-34(28-40(36)43-39)42(32-19-8-3-9-20-32)38-22-12-14-29-13-10-11-21-35(29)38/h1-28H
InChIKeyWRRFSQUBEUYNIS-UHFFFAOYSA-N
MW568.75 g/mol
LogP12.15
Rot. Bonds6

About 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine

7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine (PubChem CID 146574134) has the molecular formula C40H28N2S and a molecular weight of 568.75 g/mol. Its IUPAC name is 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
PubChem CID146574134
Molecular FormulaC40H28N2S
Molecular Weight568.75 g/mol
Exact Mass568.20
IUPAC Name7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c3c2)cc1
InChIInChI=1S/C40H28N2S/c1-4-15-30(16-5-1)41(31-17-6-2-7-18-31)33-24-26-39-37(27-33)36-25-23-34(28-40(36)43-39)42(32-19-8-3-9-20-32)38-22-12-14-29-13-10-11-21-35(29)38/h1-28H
InChIKeyWRRFSQUBEUYNIS-UHFFFAOYSA-N
XLogP12.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.75
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-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
2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
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
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
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 118405930

Frequently Asked Questions

What is the IUPAC name of 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine (CID 146574134) is 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine is c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c3c2)cc1.
What is the InChIKey of 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The InChIKey is WRRFSQUBEUYNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2S/c1-4-15-30(16-5-1)41(31-17-6-2-7-18-31)33-24-26-39-37(27-33)36-25-23-34(28-40(36)43-39)42(32-19-8-3-9-20-32)38-22-12-14-29-13-10-11-21-35(29)38/h1-28H.
What are the key properties of 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine has a molecular weight of 568.75 g/mol, XLogP of 12.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 146574134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).