(4-dibenzothiophen-1-ylphenyl)methanamine

C19H15NS — CID 153362309

IUPAC(4-dibenzothiophen-1-ylphenyl)methanamine
SMILESNCc1ccc(-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C19H15NS/c20-12-13-8-10-14(11-9-13)15-5-3-7-18-19(15)16-4-1-2-6-17(16)21-18/h1-11H,12,20H2
InChIKeyKTXLMKHSGPOMKL-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.18
Rot. Bonds2

About (4-dibenzothiophen-1-ylphenyl)methanamine

(4-dibenzothiophen-1-ylphenyl)methanamine (PubChem CID 153362309) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is (4-dibenzothiophen-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-dibenzothiophen-1-ylphenyl)methanamine
PubChem CID153362309
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name(4-dibenzothiophen-1-ylphenyl)methanamine
SMILESNCc1ccc(-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C19H15NS/c20-12-13-8-10-14(11-9-13)15-5-3-7-18-19(15)16-4-1-2-6-17(16)21-18/h1-11H,12,20H2
InChIKeyKTXLMKHSGPOMKL-UHFFFAOYSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyldibenzothiophene;hydrobromide
CID 174679709
1-[4-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989327
1-(4-fluorophenyl)dibenzothiophene
CID 21111722
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
1-[4-(trifluoromethyl)phenyl]dibenzothiophene
CID 158974890
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639

Frequently Asked Questions

What is the IUPAC name of (4-dibenzothiophen-1-ylphenyl)methanamine?
The IUPAC name of (4-dibenzothiophen-1-ylphenyl)methanamine (CID 153362309) is (4-dibenzothiophen-1-ylphenyl)methanamine.
What is the SMILES notation for (4-dibenzothiophen-1-ylphenyl)methanamine?
The canonical SMILES for (4-dibenzothiophen-1-ylphenyl)methanamine is NCc1ccc(-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of (4-dibenzothiophen-1-ylphenyl)methanamine?
The InChIKey is KTXLMKHSGPOMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c20-12-13-8-10-14(11-9-13)15-5-3-7-18-19(15)16-4-1-2-6-17(16)21-18/h1-11H,12,20H2.
What are the key properties of (4-dibenzothiophen-1-ylphenyl)methanamine?
(4-dibenzothiophen-1-ylphenyl)methanamine has a molecular weight of 289.40 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzothiophen-1-ylphenyl)methanamine is sourced from PubChem (CID 153362309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).