9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine

C31H20N2OS — CID 171754446

IUPAC9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2sc2cccc(-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C31H20N2OS/c1-3-11-21(12-4-1)33(22-13-5-2-6-14-22)26-18-9-15-23-29-24(16-10-20-28(29)35-30(23)26)31-32-25-17-7-8-19-27(25)34-31/h1-20H
InChIKeyOIFJTNPOIQPJAD-UHFFFAOYSA-N
MW468.58 g/mol
LogP9.33
Rot. Bonds4

About 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine

9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine (PubChem CID 171754446) has the molecular formula C31H20N2OS and a molecular weight of 468.58 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine
PubChem CID171754446
Molecular FormulaC31H20N2OS
Molecular Weight468.58 g/mol
Exact Mass468.13
IUPAC Name9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2sc2cccc(-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C31H20N2OS/c1-3-11-21(12-4-1)33(22-13-5-2-6-14-22)26-18-9-15-23-29-24(16-10-20-28(29)35-30(23)26)31-32-25-17-7-8-19-27(25)34-31/h1-20H
InChIKeyOIFJTNPOIQPJAD-UHFFFAOYSA-N
XLogP9.33
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[7-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzothiol-4-yl]phenyl]-N,4-diphenylaniline
CID 175613332
N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine
CID 166918024
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 177082052
9-benzo[f][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-4-yl-N-phenyldibenzofuran-3-amine
CID 177082084
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082409
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 177081402
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
CID 177081610
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081277
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 177082246
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
2-[9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]-1,3-benzoxazole
CID 146955128

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine (CID 171754446) is 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine is c1ccc(N(c2ccccc2)c2cccc3c2sc2cccc(-c4nc5ccccc5o4)c23)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine?
The InChIKey is OIFJTNPOIQPJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2OS/c1-3-11-21(12-4-1)33(22-13-5-2-6-14-22)26-18-9-15-23-29-24(16-10-20-28(29)35-30(23)26)31-32-25-17-7-8-19-27(25)34-31/h1-20H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine?
9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine has a molecular weight of 468.58 g/mol, XLogP of 9.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine is sourced from PubChem (CID 171754446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).