N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine

C47H28N2O2S — CID 167124695

IUPACN-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2nc3c(cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)c4oc5ccccc5c43)o2)cc1
InChIInChI=1S/C47H28N2O2S/c1-2-12-31(13-3-1)47-48-45-41(51-47)28-39(46-44(45)38-17-6-8-19-40(38)50-46)49(33-25-26-37-36-16-7-9-20-42(36)52-43(37)27-33)32-23-21-30(22-24-32)35-18-10-14-29-11-4-5-15-34(29)35/h1-28H
InChIKeyOSCLCSLELRBQQG-UHFFFAOYSA-N
MW684.82 g/mol
LogP14.05
Rot. Bonds5

About N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine

N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine (PubChem CID 167124695) has the molecular formula C47H28N2O2S and a molecular weight of 684.82 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
PubChem CID167124695
Molecular FormulaC47H28N2O2S
Molecular Weight684.82 g/mol
Exact Mass684.19
IUPAC NameN-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2nc3c(cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)c4oc5ccccc5c43)o2)cc1
InChIInChI=1S/C47H28N2O2S/c1-2-12-31(13-3-1)47-48-45-41(51-47)28-39(46-44(45)38-17-6-8-19-40(38)50-46)49(33-25-26-37-36-16-7-9-20-42(36)52-43(37)27-33)32-23-21-30(22-24-32)35-18-10-14-29-11-4-5-15-34(29)35/h1-28H
InChIKeyOSCLCSLELRBQQG-UHFFFAOYSA-N
XLogP14.05
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.82
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-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-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124873
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434565
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine
CID 170032626
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124784
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123941
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123510
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123339
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738900
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167124823
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031524

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine (CID 167124695) is N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine is c1ccc(-c2nc3c(cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)c4oc5ccccc5c43)o2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The InChIKey is OSCLCSLELRBQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2S/c1-2-12-31(13-3-1)47-48-45-41(51-47)28-39(46-44(45)38-17-6-8-19-40(38)50-46)49(33-25-26-37-36-16-7-9-20-42(36)52-43(37)27-33)32-23-21-30(22-24-32)35-18-10-14-29-11-4-5-15-34(29)35/h1-28H.
What are the key properties of N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine has a molecular weight of 684.82 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine is sourced from PubChem (CID 167124695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).