N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine

C41H26N2S2 — CID 171411508

IUPACN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2nc3ccc4sc5cc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc5c4c3s2)cc1
InChIInChI=1S/C41H26N2S2/c1-3-10-29(11-4-1)41-42-36-23-24-37-39(40(36)45-41)35-22-18-31(26-38(35)44-37)28-15-19-33(20-16-28)43(32-13-5-2-6-14-32)34-21-17-27-9-7-8-12-30(27)25-34/h1-26H
InChIKeyWIQHGNPVOYDWNR-UHFFFAOYSA-N
MW610.81 g/mol
LogP12.62
Rot. Bonds5

About N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine

N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine (PubChem CID 171411508) has the molecular formula C41H26N2S2 and a molecular weight of 610.81 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine
PubChem CID171411508
Molecular FormulaC41H26N2S2
Molecular Weight610.81 g/mol
Exact Mass610.15
IUPAC NameN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2nc3ccc4sc5cc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc5c4c3s2)cc1
InChIInChI=1S/C41H26N2S2/c1-3-10-29(11-4-1)41-42-36-23-24-37-39(40(36)45-41)35-22-18-31(26-38(35)44-37)28-15-19-33(20-16-28)43(32-13-5-2-6-14-32)34-21-17-27-9-7-8-12-30(27)25-34/h1-26H
InChIKeyWIQHGNPVOYDWNR-UHFFFAOYSA-N
XLogP12.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.81
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 171411412
2-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-amine
CID 171411267
N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 171411658
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 171412021
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-amine
CID 171411837
N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-amine
CID 171411525
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
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-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine
CID 177112973
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167125349
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzothiophen-3-amine
CID 171412051
N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167123688

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine (CID 171411508) is N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine is c1ccc(-c2nc3ccc4sc5cc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc5c4c3s2)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine?
The InChIKey is WIQHGNPVOYDWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2S2/c1-3-10-29(11-4-1)41-42-36-23-24-37-39(40(36)45-41)35-22-18-31(26-38(35)44-37)28-15-19-33(20-16-28)43(32-13-5-2-6-14-32)34-21-17-27-9-7-8-12-30(27)25-34/h1-26H.
What are the key properties of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine?
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine has a molecular weight of 610.81 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 171411508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).