N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine

C43H28N2S — CID 177112973

IUPACN-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine
SMILESc1ccc(-c2nc3ccc4c(-c5ccccc5)cc5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc5c4c3s2)cc1
InChIInChI=1S/C43H28N2S/c1-4-13-30(14-5-1)39-28-33-27-36(45(34-18-8-3-9-19-34)35-21-20-29-12-10-11-17-32(29)26-35)22-23-37(33)41-38(39)24-25-40-42(41)46-43(44-40)31-15-6-2-7-16-31/h1-28H
InChIKeyNDAYWLPYNHHMAU-UHFFFAOYSA-N
MW604.78 g/mol
LogP12.56
Rot. Bonds5

About N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine

N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine (PubChem CID 177112973) has the molecular formula C43H28N2S and a molecular weight of 604.78 g/mol. Its IUPAC name is N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine
PubChem CID177112973
Molecular FormulaC43H28N2S
Molecular Weight604.78 g/mol
Exact Mass604.20
IUPAC NameN-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine
SMILESc1ccc(-c2nc3ccc4c(-c5ccccc5)cc5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc5c4c3s2)cc1
InChIInChI=1S/C43H28N2S/c1-4-13-30(14-5-1)39-28-33-27-36(45(34-18-8-3-9-19-34)35-21-20-29-12-10-11-17-32(29)26-35)22-23-37(33)41-38(39)24-25-40-42(41)46-43(44-40)31-15-6-2-7-16-31/h1-28H
InChIKeyNDAYWLPYNHHMAU-UHFFFAOYSA-N
XLogP12.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.78
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine
CID 171411508
N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
CID 177113018
N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-amine
CID 171411525
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167125349
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-amine
CID 171411837
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
4-naphthalen-2-yl-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123546
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-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-amine
CID 171411267
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 171411412
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167124499
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 171411457

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine?
The IUPAC name of N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine (CID 177112973) is N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine?
The canonical SMILES for N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine is c1ccc(-c2nc3ccc4c(-c5ccccc5)cc5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc5c4c3s2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine?
The InChIKey is NDAYWLPYNHHMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2S/c1-4-13-30(14-5-1)39-28-33-27-36(45(34-18-8-3-9-19-34)35-21-20-29-12-10-11-17-32(29)26-35)22-23-37(33)41-38(39)24-25-40-42(41)46-43(44-40)31-15-6-2-7-16-31/h1-28H.
What are the key properties of N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine?
N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine has a molecular weight of 604.78 g/mol, XLogP of 12.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N,2,6-triphenylnaphtho[2,1-g][1,3]benzothiazol-9-amine is sourced from PubChem (CID 177112973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).