N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine

C46H28N2O3 — CID 164811782

IUPACN-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
SMILESc1ccc2c(c1)Oc1cc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C46H28N2O3/c1-2-10-30-25-31(18-17-29(30)9-1)47(32-21-24-43-38(26-32)36-12-4-7-15-42(36)49-43)33-20-23-40-46(28-33)51-44-16-8-5-13-39(44)48(40)34-19-22-37-35-11-3-6-14-41(35)50-45(37)27-34/h1-28H
InChIKeyAKEDNYOWTBJINK-UHFFFAOYSA-N
MW656.74 g/mol
LogP13.68
Rot. Bonds4

About N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine

N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine (PubChem CID 164811782) has the molecular formula C46H28N2O3 and a molecular weight of 656.74 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
PubChem CID164811782
Molecular FormulaC46H28N2O3
Molecular Weight656.74 g/mol
Exact Mass656.21
IUPAC NameN-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
SMILESc1ccc2c(c1)Oc1cc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C46H28N2O3/c1-2-10-30-25-31(18-17-29(30)9-1)47(32-21-24-43-38(26-32)36-12-4-7-15-42(36)49-43)33-20-23-40-46(28-33)51-44-16-8-5-13-39(44)48(40)34-19-22-37-35-11-3-6-14-41(35)50-45(37)27-34/h1-28H
InChIKeyAKEDNYOWTBJINK-UHFFFAOYSA-N
XLogP13.68
TPSA41.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.74
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine (CID 164811782) is N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine is c1ccc2c(c1)Oc1cc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine?
The InChIKey is AKEDNYOWTBJINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O3/c1-2-10-30-25-31(18-17-29(30)9-1)47(32-21-24-43-38(26-32)36-12-4-7-15-42(36)49-43)33-20-23-40-46(28-33)51-44-16-8-5-13-39(44)48(40)34-19-22-37-35-11-3-6-14-41(35)50-45(37)27-34/h1-28H.
What are the key properties of N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine?
N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine has a molecular weight of 656.74 g/mol, XLogP of 13.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine is sourced from PubChem (CID 164811782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).