N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine

C45H28N2OS — CID 177113018

IUPACN-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
SMILESc1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc5c4c3s2)cc1
InChIInChI=1S/C45H28N2OS/c1-4-12-29(13-5-1)37-26-31-20-24-40-44(49-45(46-40)30-14-6-2-7-15-30)43(31)39-28-33(21-23-35(37)39)47(32-16-8-3-9-17-32)34-22-25-42-38(27-34)36-18-10-11-19-41(36)48-42/h1-28H
InChIKeyIDRQAKLSUGWMTD-UHFFFAOYSA-N
MW644.80 g/mol
LogP13.31
Rot. Bonds5

About N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine

N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine (PubChem CID 177113018) has the molecular formula C45H28N2OS and a molecular weight of 644.80 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
PubChem CID177113018
Molecular FormulaC45H28N2OS
Molecular Weight644.80 g/mol
Exact Mass644.19
IUPAC NameN-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
SMILESc1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc5c4c3s2)cc1
InChIInChI=1S/C45H28N2OS/c1-4-12-29(13-5-1)37-26-31-20-24-40-44(49-45(46-40)30-14-6-2-7-15-30)43(31)39-28-33(21-23-35(37)39)47(32-16-8-3-9-17-32)34-22-25-42-38(27-34)36-18-10-11-19-41(36)48-42/h1-28H
InChIKeyIDRQAKLSUGWMTD-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

N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156
N-dibenzofuran-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzothiazol-10-amine
CID 171607722
N-dibenzofuran-2-yl-N,2,6-triphenylnaphtho[1,2-e][1,3]benzothiazol-10-amine
CID 177112720
N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
CID 163463694
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-7-amine
CID 171412044
N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124154
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167124248
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-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167124499
N-(3-naphthalen-1-yl-4-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 170396079

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine?
The IUPAC name of N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine (CID 177113018) is N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine is c1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc5c4c3s2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine?
The InChIKey is IDRQAKLSUGWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2OS/c1-4-12-29(13-5-1)37-26-31-20-24-40-44(49-45(46-40)30-14-6-2-7-15-30)43(31)39-28-33(21-23-35(37)39)47(32-16-8-3-9-17-32)34-22-25-42-38(27-34)36-18-10-11-19-41(36)48-42/h1-28H.
What are the key properties of N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine?
N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-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-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine is sourced from PubChem (CID 177113018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).