N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine

C25H16N2OS — CID 166918024

IUPACN-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine
SMILESc1ccc(N(c2nc3ccccc3o2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C25H16N2OS/c1-2-9-17(10-3-1)27(25-26-20-13-5-6-15-22(20)28-25)21-14-8-12-19-18-11-4-7-16-23(18)29-24(19)21/h1-16H
InChIKeyQVBDSXSKNNDKNS-UHFFFAOYSA-N
MW392.48 g/mol
LogP7.67
Rot. Bonds3

About N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine

N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine (PubChem CID 166918024) has the molecular formula C25H16N2OS and a molecular weight of 392.48 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine
PubChem CID166918024
Molecular FormulaC25H16N2OS
Molecular Weight392.48 g/mol
Exact Mass392.10
IUPAC NameN-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine
SMILESc1ccc(N(c2nc3ccccc3o2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C25H16N2OS/c1-2-9-17(10-3-1)27(25-26-20-13-5-6-15-22(20)28-25)21-14-8-12-19-18-11-4-7-16-23(18)29-24(19)21/h1-16H
InChIKeyQVBDSXSKNNDKNS-UHFFFAOYSA-N
XLogP7.67
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine
CID 171754446
4-N,9-N-bis(1,3-benzoxazol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine
CID 174313126
7-N,17-N-di(dibenzothiophen-4-yl)-7-N,17-N-diphenyl-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine
CID 163985354
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494386
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine
CID 168810720
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-8-amine
CID 171456221
4-N,6-N-di(dibenzothiophen-4-yl)-6-N,2-diphenyl-4-N-(4-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170248158
N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine (CID 166918024) is N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine is c1ccc(N(c2nc3ccccc3o2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is QVBDSXSKNNDKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2OS/c1-2-9-17(10-3-1)27(25-26-20-13-5-6-15-22(20)28-25)21-14-8-12-19-18-11-4-7-16-23(18)29-24(19)21/h1-16H.
What are the key properties of N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine?
N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine has a molecular weight of 392.48 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 166918024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).