N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine

C43H24N2O2S2 — CID 167123968

IUPACN,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7c(c6)sc6ccccc67)cc5c43)o2)cc1
InChIInChI=1S/C43H24N2O2S2/c1-2-8-25(9-3-1)43-44-42-36(47-43)21-20-35-41(42)33-22-26(16-19-34(33)46-35)45(27-14-17-31-29-10-4-6-12-37(29)48-39(31)23-27)28-15-18-32-30-11-5-7-13-38(30)49-40(32)24-28/h1-24H
InChIKeyFMVOBRRZNWVRLI-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.60
Rot. Bonds4

About N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine

N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine (PubChem CID 167123968) has the molecular formula C43H24N2O2S2 and a molecular weight of 664.81 g/mol. Its IUPAC name is N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine.

Molecular Properties

Compound NameN,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
PubChem CID167123968
Molecular FormulaC43H24N2O2S2
Molecular Weight664.81 g/mol
Exact Mass664.13
IUPAC NameN,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7c(c6)sc6ccccc67)cc5c43)o2)cc1
InChIInChI=1S/C43H24N2O2S2/c1-2-8-25(9-3-1)43-44-42-36(47-43)21-20-35-41(42)33-22-26(16-19-34(33)46-35)45(27-14-17-31-29-10-4-6-12-37(29)48-39(31)23-27)28-15-18-32-30-11-5-7-13-38(30)49-40(32)24-28/h1-24H
InChIKeyFMVOBRRZNWVRLI-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,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123178
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123462
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171456520
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
3-dibenzothiophen-4-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123440
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-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171455127
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123941
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]dibenzothiophen-3-amine
CID 167127731

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The IUPAC name of N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine (CID 167123968) is N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine.
What is the SMILES notation for N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The canonical SMILES for N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine is c1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7c(c6)sc6ccccc67)cc5c43)o2)cc1.
What is the InChIKey of N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The InChIKey is FMVOBRRZNWVRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O2S2/c1-2-8-25(9-3-1)43-44-42-36(47-43)21-20-35-41(42)33-22-26(16-19-34(33)46-35)45(27-14-17-31-29-10-4-6-12-37(29)48-39(31)23-27)28-15-18-32-30-11-5-7-13-38(30)49-40(32)24-28/h1-24H.
What are the key properties of N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-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,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine is sourced from PubChem (CID 167123968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).