N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine

C37H22N2O2S — CID 167124154

IUPACN-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
SMILESc1ccc(-c2nc3ccc4oc5ccc(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5c4c3s2)cc1
InChIInChI=1S/C37H22N2O2S/c1-3-10-23(11-4-1)37-38-29-19-21-33-34(36(29)42-37)28-22-25(18-20-32(28)40-33)39(24-12-5-2-6-13-24)30-16-9-15-27-26-14-7-8-17-31(26)41-35(27)30/h1-22H
InChIKeyVSRJPWYEPOATMQ-UHFFFAOYSA-N
MW558.66 g/mol
LogP11.23
Rot. Bonds4

About N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine

N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine (PubChem CID 167124154) has the molecular formula C37H22N2O2S and a molecular weight of 558.66 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
PubChem CID167124154
Molecular FormulaC37H22N2O2S
Molecular Weight558.66 g/mol
Exact Mass558.14
IUPAC NameN-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
SMILESc1ccc(-c2nc3ccc4oc5ccc(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5c4c3s2)cc1
InChIInChI=1S/C37H22N2O2S/c1-3-10-23(11-4-1)37-38-29-19-21-33-34(36(29)42-37)28-22-25(18-20-32(28)40-33)39(24-12-5-2-6-13-24)30-16-9-15-27-26-14-7-8-17-31(26)41-35(27)30/h1-22H
InChIKeyVSRJPWYEPOATMQ-UHFFFAOYSA-N
XLogP11.23
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.66
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156
N-dibenzofuran-1-yl-N,2-diphenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-amine
CID 171411295
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine
CID 167125064
N-dibenzofuran-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzothiazol-10-amine
CID 171607722
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine
CID 174294431
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-4-amine
CID 167124911
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167124248
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167125349
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-7-amine
CID 171412044
N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
CID 177113018
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]aniline
CID 167123156

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine?
The IUPAC name of N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine (CID 167124154) is N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine is c1ccc(-c2nc3ccc4oc5ccc(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5c4c3s2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine?
The InChIKey is VSRJPWYEPOATMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O2S/c1-3-10-23(11-4-1)37-38-29-19-21-33-34(36(29)42-37)28-22-25(18-20-32(28)40-33)39(24-12-5-2-6-13-24)30-16-9-15-27-26-14-7-8-17-31(26)41-35(27)30/h1-22H.
What are the key properties of N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine?
N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine has a molecular weight of 558.66 g/mol, XLogP of 11.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine is sourced from PubChem (CID 167124154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).