N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine

C45H26N2O2S — CID 174294595

IUPACN,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine
SMILESc1ccc(-c2nc3c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc4c5ccccc5ccc4c3s2)cc1
InChIInChI=1S/C45H26N2O2S/c1-2-11-28(12-3-1)45-46-43-38(26-37-31-13-5-4-10-27(31)18-21-36(37)44(43)50-45)47(29-19-22-34-32-14-6-8-16-39(32)48-41(34)24-29)30-20-23-35-33-15-7-9-17-40(33)49-42(35)25-30/h1-26H
InChIKeyLIKDKBHUXORXLS-UHFFFAOYSA-N
MW658.78 g/mol
LogP13.54
Rot. Bonds4

About N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine

N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine (PubChem CID 174294595) has the molecular formula C45H26N2O2S and a molecular weight of 658.78 g/mol. Its IUPAC name is N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine.

Molecular Properties

Compound NameN,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine
PubChem CID174294595
Molecular FormulaC45H26N2O2S
Molecular Weight658.78 g/mol
Exact Mass658.17
IUPAC NameN,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine
SMILESc1ccc(-c2nc3c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc4c5ccccc5ccc4c3s2)cc1
InChIInChI=1S/C45H26N2O2S/c1-2-11-28(12-3-1)45-46-43-38(26-37-31-13-5-4-10-27(31)18-21-36(37)44(43)50-45)47(29-19-22-34-32-14-6-8-16-39(32)48-41(34)24-29)30-20-23-35-33-15-7-9-17-40(33)49-42(35)25-30/h1-26H
InChIKeyLIKDKBHUXORXLS-UHFFFAOYSA-N
XLogP13.54
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.78
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine
CID 163891092
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123381
N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
CID 171747668
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-4-amine
CID 167124961
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123376
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-5-amine
CID 167125064
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N-[4-(4,5,6,7,8,9,10,11-octadeuteriophenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 171747591
2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747492
3-[2-dibenzofuran-2-yl-9-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-yl]-N,N-diphenylaniline
CID 171747596
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine?
The IUPAC name of N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine (CID 174294595) is N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine.
What is the SMILES notation for N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine?
The canonical SMILES for N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine is c1ccc(-c2nc3c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc4c5ccccc5ccc4c3s2)cc1.
What is the InChIKey of N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine?
The InChIKey is LIKDKBHUXORXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2O2S/c1-2-11-28(12-3-1)45-46-43-38(26-37-31-13-5-4-10-27(31)18-21-36(37)44(43)50-45)47(29-19-22-34-32-14-6-8-16-39(32)48-41(34)24-29)30-20-23-35-33-15-7-9-17-40(33)49-42(35)25-30/h1-26H.
What are the key properties of N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine?
N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine has a molecular weight of 658.78 g/mol, XLogP of 13.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine is sourced from PubChem (CID 174294595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).