N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine

C37H22N2O2S — CID 167125064

IUPACN-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine
SMILESc1ccc(-c2nc3cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c4oc5ccccc5c4c3s2)cc1
InChIInChI=1S/C37H22N2O2S/c1-3-11-23(12-4-1)37-38-29-22-30(35-34(36(29)42-37)28-16-8-10-18-32(28)41-35)39(24-13-5-2-6-14-24)25-19-20-27-26-15-7-9-17-31(26)40-33(27)21-25/h1-22H
InChIKeyNQNXRDPINCOLCQ-UHFFFAOYSA-N
MW558.66 g/mol
LogP11.23
Rot. Bonds4

About N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine

N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine (PubChem CID 167125064) has the molecular formula C37H22N2O2S and a molecular weight of 558.66 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine
PubChem CID167125064
Molecular FormulaC37H22N2O2S
Molecular Weight558.66 g/mol
Exact Mass558.14
IUPAC NameN-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine
SMILESc1ccc(-c2nc3cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c4oc5ccccc5c4c3s2)cc1
InChIInChI=1S/C37H22N2O2S/c1-3-11-23(12-4-1)37-38-29-22-30(35-34(36(29)42-37)28-16-8-10-18-32(28)41-35)39(24-13-5-2-6-14-24)25-19-20-27-26-15-7-9-17-31(26)40-33(27)21-25/h1-22H
InChIKeyNQNXRDPINCOLCQ-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-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine
CID 170420313
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167124758
N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124154
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167124248
N-dibenzofuran-1-yl-N,2-diphenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-amine
CID 171411295
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156
N-[4-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 163587256
N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine
CID 174294595
N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
CID 177113018
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-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine?
The IUPAC name of N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine (CID 167125064) is N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine is c1ccc(-c2nc3cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c4oc5ccccc5c4c3s2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine?
The InChIKey is NQNXRDPINCOLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O2S/c1-3-11-23(12-4-1)37-38-29-22-30(35-34(36(29)42-37)28-16-8-10-18-32(28)41-35)39(24-13-5-2-6-14-24)25-19-20-27-26-15-7-9-17-31(26)40-33(27)21-25/h1-22H.
What are the key properties of N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine?
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-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-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine is sourced from PubChem (CID 167125064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).