N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine

C36H26N2S — CID 131980060

IUPACN-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(Nc2ccc3c(c2)sc2ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc23)cc1
InChIInChI=1S/C36H26N2S/c1-4-12-28(13-5-1)37-29-20-21-33-34-24-27(19-22-35(34)39-36(33)25-29)26-11-10-18-32(23-26)38(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-25,37H
InChIKeyLFKHVDPDEKHEPU-UHFFFAOYSA-N
MW518.69 g/mol
LogP10.93
Rot. Bonds6

About N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine

N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine (PubChem CID 131980060) has the molecular formula C36H26N2S and a molecular weight of 518.69 g/mol. Its IUPAC name is N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine
PubChem CID131980060
Molecular FormulaC36H26N2S
Molecular Weight518.69 g/mol
Exact Mass518.18
IUPAC NameN-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(Nc2ccc3c(c2)sc2ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc23)cc1
InChIInChI=1S/C36H26N2S/c1-4-12-28(13-5-1)37-29-20-21-33-34-24-27(19-22-35(34)39-36(33)25-29)26-11-10-18-32(23-26)38(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-25,37H
InChIKeyLFKHVDPDEKHEPU-UHFFFAOYSA-N
XLogP10.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.69
LogP ≤ 510.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-anilinodibenzothiophen-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 131980064
7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine
CID 131979998
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131980025
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540
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 N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine (CID 131980060) is N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine is c1ccc(Nc2ccc3c(c2)sc2ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc23)cc1.
What is the InChIKey of N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine?
The InChIKey is LFKHVDPDEKHEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2S/c1-4-12-28(13-5-1)37-29-20-21-33-34-24-27(19-22-35(34)39-36(33)25-29)26-11-10-18-32(23-26)38(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-25,37H.
What are the key properties of N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine?
N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine has a molecular weight of 518.69 g/mol, XLogP of 10.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 131980060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).