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

C37H22N2OS2 — CID 167124961

IUPACN-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc4oc5ccccc5c4c3s2)cc1
InChIInChI=1S/C37H22N2OS2/c1-3-11-23(12-4-1)37-38-35-29(22-31-34(36(35)42-37)28-16-7-9-17-30(28)40-31)39(24-13-5-2-6-14-24)25-19-20-27-26-15-8-10-18-32(26)41-33(27)21-25/h1-22H
InChIKeyJDCHOYHGMZCGSD-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.70
Rot. Bonds4

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

N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine (PubChem CID 167124961) has the molecular formula C37H22N2OS2 and a molecular weight of 574.73 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine
PubChem CID167124961
Molecular FormulaC37H22N2OS2
Molecular Weight574.73 g/mol
Exact Mass574.12
IUPAC NameN-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc4oc5ccccc5c4c3s2)cc1
InChIInChI=1S/C37H22N2OS2/c1-3-11-23(12-4-1)37-38-35-29(22-31-34(36(35)42-37)28-16-7-9-17-30(28)40-31)39(24-13-5-2-6-14-24)25-19-20-27-26-15-8-10-18-32(26)41-33(27)21-25/h1-22H
InChIKeyJDCHOYHGMZCGSD-UHFFFAOYSA-N
XLogP11.70
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167125172
N-dibenzofuran-1-yl-N,2-diphenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-amine
CID 171411295
N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine
CID 174294595
N-dibenzothiophen-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032222
1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411564
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzofuran-3-amine
CID 171411363
N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123178
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 171411640
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzothiophen-3-amine
CID 171412051
3-N-dibenzothiophen-3-yl-1-N,1-N,3-N,8-N,8-N-pentakis-phenyldibenzofuran-1,3,8-triamine
CID 155173000

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine (CID 167124961) is N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine is c1ccc(-c2nc3c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc4oc5ccccc5c4c3s2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine?
The InChIKey is JDCHOYHGMZCGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2OS2/c1-3-11-23(12-4-1)37-38-35-29(22-31-34(36(35)42-37)28-16-7-9-17-30(28)40-31)39(24-13-5-2-6-14-24)25-19-20-27-26-15-8-10-18-32(26)41-33(27)21-25/h1-22H.
What are the key properties of N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine?
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine has a molecular weight of 574.73 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine is sourced from PubChem (CID 167124961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).