N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine

C43H24N2O2S2 — CID 167125302

IUPACN-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3ccc4oc5cc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)ccc5c4c3o2)cc1
InChIInChI=1S/C43H24N2O2S2/c1-2-8-25(9-3-1)43-44-34-19-20-35-41(42(34)47-43)32-18-15-27(23-36(32)46-35)45(26-16-21-39-33(22-26)30-11-5-7-13-38(30)48-39)28-14-17-31-29-10-4-6-12-37(29)49-40(31)24-28/h1-24H
InChIKeyAYSZGJGHWSISFW-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.60
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine

N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine (PubChem CID 167125302) has the molecular formula C43H24N2O2S2 and a molecular weight of 664.81 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
PubChem CID167125302
Molecular FormulaC43H24N2O2S2
Molecular Weight664.81 g/mol
Exact Mass664.13
IUPAC NameN-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3ccc4oc5cc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)ccc5c4c3o2)cc1
InChIInChI=1S/C43H24N2O2S2/c1-2-8-25(9-3-1)43-44-34-19-20-35-41(42(34)47-43)32-18-15-27(23-36(32)46-35)45(26-16-21-39-33(22-26)30-11-5-7-13-38(30)48-39)28-14-17-31-29-10-4-6-12-37(29)49-40(31)24-28/h1-24H
InChIKeyAYSZGJGHWSISFW-UHFFFAOYSA-N
XLogP13.60
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167123231
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473862
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171456520
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
7-N,7-N-diphenyl-2-N-[3-(N-phenylanilino)phenyl]-2-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)dibenzothiophene-2,7-diamine
CID 171417030
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 170395497
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 162702037
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171455127
N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851461
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167129313

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine (CID 167125302) is N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine is c1ccc(-c2nc3ccc4oc5cc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)ccc5c4c3o2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The InChIKey is AYSZGJGHWSISFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O2S2/c1-2-8-25(9-3-1)43-44-34-19-20-35-41(42(34)47-43)32-18-15-27(23-36(32)46-35)45(26-16-21-39-33(22-26)30-11-5-7-13-38(30)48-39)28-14-17-31-29-10-4-6-12-37(29)49-40(31)24-28/h1-24H.
What are the key properties of N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine has a molecular weight of 664.81 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167125302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).