N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine

C51H30N2OS2 — CID 163463694

IUPACN-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6ccc(N(c7ccc8oc9ccccc9c8c7)c7ccc8sc9ccccc9c8c7)cc6)ccc5c4c3s2)cc1
InChIInChI=1S/C51H30N2OS2/c1-2-8-33(9-3-1)51-52-44-25-19-32-14-15-35-28-34(18-24-39(35)49(32)50(44)56-51)31-16-20-36(21-17-31)53(37-22-26-46-42(29-37)40-10-4-6-12-45(40)54-46)38-23-27-48-43(30-38)41-11-5-7-13-47(41)55-48/h1-30H
InChIKeyBQSOLLWZPXQHOF-UHFFFAOYSA-N
MW750.95 g/mol
LogP15.67
Rot. Bonds5

About N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine

N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine (PubChem CID 163463694) has the molecular formula C51H30N2OS2 and a molecular weight of 750.95 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
PubChem CID163463694
Molecular FormulaC51H30N2OS2
Molecular Weight750.95 g/mol
Exact Mass750.18
IUPAC NameN-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6ccc(N(c7ccc8oc9ccccc9c8c7)c7ccc8sc9ccccc9c8c7)cc6)ccc5c4c3s2)cc1
InChIInChI=1S/C51H30N2OS2/c1-2-8-33(9-3-1)51-52-44-25-19-32-14-15-35-28-34(18-24-39(35)49(32)50(44)56-51)31-16-20-36(21-17-31)53(37-22-26-46-42(29-37)40-10-4-6-12-45(40)54-46)38-23-27-48-43(30-38)41-11-5-7-13-47(41)55-48/h1-30H
InChIKeyBQSOLLWZPXQHOF-UHFFFAOYSA-N
XLogP15.67
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 515.67
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-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412
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-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 171411457
N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 171411658
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156
N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
CID 177113018
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-amine
CID 171411837
N-dibenzofuran-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzothiazol-10-amine
CID 171607722
3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411605
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167125349

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine (CID 163463694) is N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine is c1ccc(-c2nc3ccc4ccc5cc(-c6ccc(N(c7ccc8oc9ccccc9c8c7)c7ccc8sc9ccccc9c8c7)cc6)ccc5c4c3s2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is BQSOLLWZPXQHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2OS2/c1-2-8-33(9-3-1)51-52-44-25-19-32-14-15-35-28-34(18-24-39(35)49(32)50(44)56-51)31-16-20-36(21-17-31)53(37-22-26-46-42(29-37)40-10-4-6-12-45(40)54-46)38-23-27-48-43(30-38)41-11-5-7-13-47(41)55-48/h1-30H.
What are the key properties of N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine?
N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 750.95 g/mol, XLogP of 15.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 163463694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).