N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine

C47H28N2O2S — CID 167123376

IUPACN-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7oc8ccccc8c7c6)ccc5c43)s2)cc1
InChIInChI=1S/C47H28N2O2S/c1-2-10-31(11-3-1)47-48-46-44(52-47)26-25-42-45(46)38-23-21-34(28-43(38)51-42)49(33-22-24-41-39(27-33)37-14-6-7-16-40(37)50-41)32-19-17-30(18-20-32)36-15-8-12-29-9-4-5-13-35(29)36/h1-28H
InChIKeyQTFWMENHSUQOGY-UHFFFAOYSA-N
MW684.82 g/mol
LogP14.05
Rot. Bonds5

About N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine

N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine (PubChem CID 167123376) has the molecular formula C47H28N2O2S and a molecular weight of 684.82 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
PubChem CID167123376
Molecular FormulaC47H28N2O2S
Molecular Weight684.82 g/mol
Exact Mass684.19
IUPAC NameN-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7oc8ccccc8c7c6)ccc5c43)s2)cc1
InChIInChI=1S/C47H28N2O2S/c1-2-10-31(11-3-1)47-48-46-44(52-47)26-25-42-45(46)38-23-21-34(28-43(38)51-42)49(33-22-24-41-39(27-33)37-14-6-7-16-40(37)50-41)32-19-17-30(18-20-32)36-15-8-12-29-9-4-5-13-35(29)36/h1-28H
InChIKeyQTFWMENHSUQOGY-UHFFFAOYSA-N
XLogP14.05
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.82
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzofuran-2-amine
CID 167124136
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167124225
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123381
N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167125100
N-dibenzofuran-2-yl-N,2,6-triphenylnaphtho[1,2-e][1,3]benzothiazol-10-amine
CID 177112720
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411564
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
9-benzo[e][1,3]benzothiazol-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 177081500
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167124499

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine (CID 167123376) is N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine is c1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7oc8ccccc8c7c6)ccc5c43)s2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine?
The InChIKey is QTFWMENHSUQOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2S/c1-2-10-31(11-3-1)47-48-46-44(52-47)26-25-42-45(46)38-23-21-34(28-43(38)51-42)49(33-22-24-41-39(27-33)37-14-6-7-16-40(37)50-41)32-19-17-30(18-20-32)36-15-8-12-29-9-4-5-13-35(29)36/h1-28H.
What are the key properties of N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine?
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine has a molecular weight of 684.82 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine is sourced from PubChem (CID 167123376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).