N-(3-phenylphenyl)dibenzothiophen-4-amine

C24H17NS — CID 147227535

IUPACN-(3-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(Nc3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C24H17NS/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22/h1-16,25H
InChIKeyCIGPZLHDKJALAA-UHFFFAOYSA-N
MW351.47 g/mol
LogP7.47
Rot. Bonds3

About N-(3-phenylphenyl)dibenzothiophen-4-amine

N-(3-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 147227535) has the molecular formula C24H17NS and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(3-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)dibenzothiophen-4-amine
PubChem CID147227535
Molecular FormulaC24H17NS
Molecular Weight351.47 g/mol
Exact Mass351.11
IUPAC NameN-(3-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(Nc3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C24H17NS/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22/h1-16,25H
InChIKeyCIGPZLHDKJALAA-UHFFFAOYSA-N
XLogP7.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 175616007
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168766680
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
CID 129082368
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 167592386
N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 159617769
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(3-phenylphenyl)dibenzothiophen-4-amine (CID 147227535) is N-(3-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(3-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(3-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2cccc(Nc3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is CIGPZLHDKJALAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NS/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22/h1-16,25H.
What are the key properties of N-(3-phenylphenyl)dibenzothiophen-4-amine?
N-(3-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 351.47 g/mol, XLogP of 7.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 147227535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).