4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine

C28H19NS — CID 164934429

IUPAC4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
SMILESc1ccc(Nc2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C28H19NS/c1-2-8-20(9-3-1)29-26-16-15-21(22-10-4-5-11-23(22)26)19-14-17-28-25(18-19)24-12-6-7-13-27(24)30-28/h1-18,29H
InChIKeyZAVQXIOEYXHYSQ-UHFFFAOYSA-N
MW401.53 g/mol
LogP8.62
Rot. Bonds3

About 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine

4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine (PubChem CID 164934429) has the molecular formula C28H19NS and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
PubChem CID164934429
Molecular FormulaC28H19NS
Molecular Weight401.53 g/mol
Exact Mass401.12
IUPAC Name4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
SMILESc1ccc(Nc2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C28H19NS/c1-2-8-20(9-3-1)29-26-16-15-21(22-10-4-5-11-23(22)26)19-14-17-28-25(18-19)24-12-6-7-13-27(24)30-28/h1-18,29H
InChIKeyZAVQXIOEYXHYSQ-UHFFFAOYSA-N
XLogP8.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
CID 118534100
2-[4-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphthalen-1-yl]dibenzothiophene
CID 138665918
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154949770
4-(4-anilinonaphthalen-1-yl)phenol
CID 145157968
4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline
CID 166714643
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776
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-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine?
The IUPAC name of 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine (CID 164934429) is 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine?
The canonical SMILES for 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine is c1ccc(Nc2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine?
The InChIKey is ZAVQXIOEYXHYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NS/c1-2-8-20(9-3-1)29-26-16-15-21(22-10-4-5-11-23(22)26)19-14-17-28-25(18-19)24-12-6-7-13-27(24)30-28/h1-18,29H.
What are the key properties of 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine?
4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine has a molecular weight of 401.53 g/mol, XLogP of 8.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 164934429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).