1-phenoxy-N-phenyldibenzothiophen-3-amine

C24H17NOS — CID 164801821

IUPAC1-phenoxy-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(Nc2cc(Oc3ccccc3)c3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C24H17NOS/c1-3-9-17(10-4-1)25-18-15-21(26-19-11-5-2-6-12-19)24-20-13-7-8-14-22(20)27-23(24)16-18/h1-16,25H
InChIKeyYPOXPUDEHGBFOY-UHFFFAOYSA-N
MW367.47 g/mol
LogP7.59
Rot. Bonds4

About 1-phenoxy-N-phenyldibenzothiophen-3-amine

1-phenoxy-N-phenyldibenzothiophen-3-amine (PubChem CID 164801821) has the molecular formula C24H17NOS and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-phenoxy-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound Name1-phenoxy-N-phenyldibenzothiophen-3-amine
PubChem CID164801821
Molecular FormulaC24H17NOS
Molecular Weight367.47 g/mol
Exact Mass367.10
IUPAC Name1-phenoxy-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(Nc2cc(Oc3ccccc3)c3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C24H17NOS/c1-3-9-17(10-4-1)25-18-15-21(26-19-11-5-2-6-12-19)24-20-13-7-8-14-22(20)27-23(24)16-18/h1-16,25H
InChIKeyYPOXPUDEHGBFOY-UHFFFAOYSA-N
XLogP7.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-diphenyldibenzothiophen-3-amine
CID 170046068
3-chloro-1-phenoxythioxanthen-9-one
CID 19922724
N-phenyldibenzothiophen-1-amine
CID 126538366
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
dibenzothiophene;methane
CID 162233710
N,9-diphenyldibenzothiophen-2-amine
CID 139422574
N-dibenzothiophen-3-ylpyridin-4-amine
CID 137471578
N-phenanthren-2-yldibenzothiophen-3-amine
CID 166647228
5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine
CID 129194520
CID 175904297
CID 175904297

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-N-phenyldibenzothiophen-3-amine?
The IUPAC name of 1-phenoxy-N-phenyldibenzothiophen-3-amine (CID 164801821) is 1-phenoxy-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for 1-phenoxy-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for 1-phenoxy-N-phenyldibenzothiophen-3-amine is c1ccc(Nc2cc(Oc3ccccc3)c3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 1-phenoxy-N-phenyldibenzothiophen-3-amine?
The InChIKey is YPOXPUDEHGBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NOS/c1-3-9-17(10-4-1)25-18-15-21(26-19-11-5-2-6-12-19)24-20-13-7-8-14-22(20)27-23(24)16-18/h1-16,25H.
What are the key properties of 1-phenoxy-N-phenyldibenzothiophen-3-amine?
1-phenoxy-N-phenyldibenzothiophen-3-amine has a molecular weight of 367.47 g/mol, XLogP of 7.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 164801821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).