N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine

C43H24N2O2S2 — CID 171456518

IUPACN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)sc2c(N(c3ccc5c(c3)oc3ccccc35)c3ccc5sc6ccccc6c5c3)cccc24)cc1
InChIInChI=1S/C43H24N2O2S2/c1-2-9-25(10-3-1)43-44-34-23-33-31-13-8-14-35(42(31)49-41(33)24-38(34)47-43)45(26-18-20-40-32(21-26)30-12-5-7-16-39(30)48-40)27-17-19-29-28-11-4-6-15-36(28)46-37(29)22-27/h1-24H
InChIKeyQZODTDUDOXYICP-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.60
Rot. Bonds4

About N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine

N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine (PubChem CID 171456518) has the molecular formula C43H24N2O2S2 and a molecular weight of 664.81 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine
PubChem CID171456518
Molecular FormulaC43H24N2O2S2
Molecular Weight664.81 g/mol
Exact Mass664.13
IUPAC NameN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)sc2c(N(c3ccc5c(c3)oc3ccccc35)c3ccc5sc6ccccc6c5c3)cccc24)cc1
InChIInChI=1S/C43H24N2O2S2/c1-2-9-25(10-3-1)43-44-34-23-33-31-13-8-14-35(42(31)49-41(33)24-38(34)47-43)45(26-18-20-40-32(21-26)30-12-5-7-16-39(30)48-40)27-17-19-29-28-11-4-6-15-36(28)46-37(29)22-27/h1-24H
InChIKeyQZODTDUDOXYICP-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-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][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-dibenzofuran-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-8-amine
CID 171456221
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
CID 171455606
N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[3,2-f][1,3]benzoxazol-5-amine
CID 171455608
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine
CID 171455407
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171456520
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzoxazol-8-amine
CID 171455178
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 171455633
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167127743
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167129313
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171455127

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine (CID 171456518) is N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine is c1ccc(-c2nc3cc4c(cc3o2)sc2c(N(c3ccc5c(c3)oc3ccccc35)c3ccc5sc6ccccc6c5c3)cccc24)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine?
The InChIKey is QZODTDUDOXYICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O2S2/c1-2-9-25(10-3-1)43-44-34-23-33-31-13-8-14-35(42(31)49-41(33)24-38(34)47-43)45(26-18-20-40-32(21-26)30-12-5-7-16-39(30)48-40)27-17-19-29-28-11-4-6-15-36(28)46-37(29)22-27/h1-24H.
What are the key properties of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine?
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][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-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine is sourced from PubChem (CID 171456518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).