N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine

C40H25NOS — CID 170301532

IUPACN-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2cc3oc4cccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)c4c3c3ccccc23)cc1
InChIInChI=1S/C40H25NOS/c1-3-13-26(14-4-1)31-25-35-39(29-18-8-7-17-28(29)31)40-33(20-11-22-34(40)42-35)41(27-15-5-2-6-16-27)32-21-12-24-37-38(32)30-19-9-10-23-36(30)43-37/h1-25H
InChIKeyJAYCGRMKZBIGRJ-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine

N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170301532) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170301532
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2cc3oc4cccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)c4c3c3ccccc23)cc1
InChIInChI=1S/C40H25NOS/c1-3-13-26(14-4-1)31-25-35-39(29-18-8-7-17-28(29)31)40-33(20-11-22-34(40)42-35)41(27-15-5-2-6-16-27)32-21-12-24-37-38(32)30-19-9-10-23-36(30)43-37/h1-25H
InChIKeyJAYCGRMKZBIGRJ-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-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-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine
CID 177130918
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-phenyldibenzothiophen-1-amine
CID 139525602
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 165004236
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176854061
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170126820

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine (CID 170301532) is N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2cc3oc4cccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)c4c3c3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is JAYCGRMKZBIGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-3-13-26(14-4-1)31-25-35-39(29-18-8-7-17-28(29)31)40-33(20-11-22-34(40)42-35)41(27-15-5-2-6-16-27)32-21-12-24-37-38(32)30-19-9-10-23-36(30)43-37/h1-25H.
What are the key properties of N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine?
N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine has a molecular weight of 567.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170301532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).