N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine

C45H28N2OS — CID 174294431

IUPACN-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine
SMILESc1ccc(-c2nc3ccc4c5cccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5ccc4c3s2)cc1
InChIInChI=1S/C45H28N2OS/c1-3-11-30(12-4-1)45-46-40-28-27-35-34-17-10-19-41(36(34)25-26-39(35)44(40)49-45)47(31-13-5-2-6-14-31)32-23-21-29(22-24-32)33-16-9-18-38-37-15-7-8-20-42(37)48-43(33)38/h1-28H
InChIKeyZGIJZAOXENUOFW-UHFFFAOYSA-N
MW644.80 g/mol
LogP13.31
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine

N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine (PubChem CID 174294431) has the molecular formula C45H28N2OS and a molecular weight of 644.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine
PubChem CID174294431
Molecular FormulaC45H28N2OS
Molecular Weight644.80 g/mol
Exact Mass644.19
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine
SMILESc1ccc(-c2nc3ccc4c5cccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5ccc4c3s2)cc1
InChIInChI=1S/C45H28N2OS/c1-3-11-30(12-4-1)45-46-40-28-27-35-34-17-10-19-41(36(34)25-26-39(35)44(40)49-45)47(31-13-5-2-6-14-31)32-23-21-29(22-24-32)33-16-9-18-38-37-15-7-8-20-42(37)48-43(33)38/h1-28H
InChIKeyZGIJZAOXENUOFW-UHFFFAOYSA-N
XLogP13.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole
CID 138633662
4-[4,7-bis(4-dibenzofuran-4-ylphenyl)-1,3-benzothiazol-2-yl]-N,N-diphenylaniline
CID 121425766
N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124154
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397414
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167124248
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192
4-[2-dibenzofuran-4-yl-7-[4-(N-phenylanilino)phenyl]-1,3-benzothiazol-4-yl]-N,N-diphenylaniline
CID 121425685
4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162213494
N-dibenzofuran-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzothiazol-10-amine
CID 171607722
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604838

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine (CID 174294431) is N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine is c1ccc(-c2nc3ccc4c5cccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5ccc4c3s2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine?
The InChIKey is ZGIJZAOXENUOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2OS/c1-3-11-30(12-4-1)45-46-40-28-27-35-34-17-10-19-41(36(34)25-26-39(35)44(40)49-45)47(31-13-5-2-6-14-31)32-23-21-29(22-24-32)33-16-9-18-38-37-15-7-8-20-42(37)48-43(33)38/h1-28H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine?
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine has a molecular weight of 644.80 g/mol, XLogP of 13.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine is sourced from PubChem (CID 174294431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).