N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine

C40H25NOS — CID 163647447

IUPACN-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cccc3c2oc2ccccc23)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C40H25NOS/c1-2-15-29-26(11-1)12-8-18-30(29)27-13-7-14-28(25-27)41(34-20-10-24-38-39(34)33-17-4-6-23-37(33)43-38)35-21-9-19-32-31-16-3-5-22-36(31)42-40(32)35/h1-25H
InChIKeyIJLQHJJHWUYJPF-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine

N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 163647447) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
PubChem CID163647447
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cccc3c2oc2ccccc23)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C40H25NOS/c1-2-15-29-26(11-1)12-8-18-30(29)27-13-7-14-28(25-27)41(34-20-10-24-38-39(34)33-17-4-6-23-37(33)43-38)35-21-9-19-32-31-16-3-5-22-36(31)42-40(32)35/h1-25H
InChIKeyIJLQHJJHWUYJPF-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-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine (CID 163647447) is N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine is c1cc(-c2cccc3ccccc23)cc(N(c2cccc3c2oc2ccccc23)c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is IJLQHJJHWUYJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-15-29-26(11-1)12-8-18-30(29)27-13-7-14-28(25-27)41(34-20-10-24-38-39(34)33-17-4-6-23-37(33)43-38)35-21-9-19-32-31-16-3-5-22-36(31)42-40(32)35/h1-25H.
What are the key properties of N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
N-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-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-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 163647447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).