N-phenyldibenzothiophen-2-amine

C18H13NS — CID 66837789

IUPACN-phenyldibenzothiophen-2-amine
SMILESc1ccc(Nc2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C18H13NS/c1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-12,19H
InChIKeyMZKZCGLQGDKMBI-UHFFFAOYSA-N
MW275.38 g/mol
LogP5.80
Rot. Bonds2

About N-phenyldibenzothiophen-2-amine

N-phenyldibenzothiophen-2-amine (PubChem CID 66837789) has the molecular formula C18H13NS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-phenyldibenzothiophen-2-amine
PubChem CID66837789
Molecular FormulaC18H13NS
Molecular Weight275.38 g/mol
Exact Mass275.08
IUPAC NameN-phenyldibenzothiophen-2-amine
SMILESc1ccc(Nc2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C18H13NS/c1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-12,19H
InChIKeyMZKZCGLQGDKMBI-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.38
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-phenyldibenzothiophen-2-amine (CID 66837789) is N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-phenyldibenzothiophen-2-amine is c1ccc(Nc2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenyldibenzothiophen-2-amine?
The InChIKey is MZKZCGLQGDKMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS/c1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-12,19H.
What are the key properties of N-phenyldibenzothiophen-2-amine?
N-phenyldibenzothiophen-2-amine has a molecular weight of 275.38 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 66837789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).