N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine

C43H26N2OS2 — CID 171455633

IUPACN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)sc2cc(-c3ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc3)ccc24)cc1
InChIInChI=1S/C43H26N2OS2/c1-3-9-28(10-4-1)43-44-37-25-36-34-21-17-29(23-41(34)48-42(36)26-38(37)46-43)27-15-18-31(19-16-27)45(30-11-5-2-6-12-30)32-20-22-40-35(24-32)33-13-7-8-14-39(33)47-40/h1-26H
InChIKeyWUEGMFMYZYLOQJ-UHFFFAOYSA-N
MW650.83 g/mol
LogP13.37
Rot. Bonds5

About N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine

N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 171455633) has the molecular formula C43H26N2OS2 and a molecular weight of 650.83 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
PubChem CID171455633
Molecular FormulaC43H26N2OS2
Molecular Weight650.83 g/mol
Exact Mass650.15
IUPAC NameN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)sc2cc(-c3ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc3)ccc24)cc1
InChIInChI=1S/C43H26N2OS2/c1-3-9-28(10-4-1)43-44-37-25-36-34-21-17-29(23-41(34)48-42(36)26-38(37)46-43)27-15-18-31(19-16-27)45(30-11-5-2-6-12-30)32-20-22-40-35(24-32)33-13-7-8-14-39(33)47-40/h1-26H
InChIKeyWUEGMFMYZYLOQJ-UHFFFAOYSA-N
XLogP13.37
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
CID 171455606
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171455127
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171456520
N-dibenzothiophen-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-amine
CID 171456458
3-phenyl-4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 171455668
N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[3,2-f][1,3]benzoxazol-5-amine
CID 171455608
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]dibenzothiophen-3-amine
CID 167127731
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 162702037
4-naphthalen-1-yl-3-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 171455953
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171455497

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine (CID 171455633) is N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2nc3cc4c(cc3o2)sc2cc(-c3ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc3)ccc24)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is WUEGMFMYZYLOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2OS2/c1-3-9-28(10-4-1)43-44-37-25-36-34-21-17-29(23-41(34)48-42(36)26-38(37)46-43)27-15-18-31(19-16-27)45(30-11-5-2-6-12-30)32-20-22-40-35(24-32)33-13-7-8-14-39(33)47-40/h1-26H.
What are the key properties of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine?
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 650.83 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 171455633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).