9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine

C47H28N2O3 — CID 177081573

IUPAC9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cc(N(c4ccc5c(c4)oc4cccc(-c6nc7ccccc7o6)c45)c4cccc5c4oc4ccccc45)ccc23)cc1
InChIInChI=1S/C47H28N2O3/c1-2-11-29(12-3-1)33-15-8-13-30-27-31(23-25-34(30)33)49(40-19-9-16-36-35-14-4-6-20-41(35)51-46(36)40)32-24-26-37-44(28-32)50-43-22-10-17-38(45(37)43)47-48-39-18-5-7-21-42(39)52-47/h1-28H
InChIKeyOXJNZZHKMRFRAY-UHFFFAOYSA-N
MW668.75 g/mol
LogP13.58
Rot. Bonds5

About 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine (PubChem CID 177081573) has the molecular formula C47H28N2O3 and a molecular weight of 668.75 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
PubChem CID177081573
Molecular FormulaC47H28N2O3
Molecular Weight668.75 g/mol
Exact Mass668.21
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cc(N(c4ccc5c(c4)oc4cccc(-c6nc7ccccc7o6)c45)c4cccc5c4oc4ccccc45)ccc23)cc1
InChIInChI=1S/C47H28N2O3/c1-2-11-29(12-3-1)33-15-8-13-30-27-31(23-25-34(30)33)49(40-19-9-16-36-35-14-4-6-20-41(35)51-46(36)40)32-24-26-37-44(28-32)50-43-22-10-17-38(45(37)43)47-48-39-18-5-7-21-42(39)52-47/h1-28H
InChIKeyOXJNZZHKMRFRAY-UHFFFAOYSA-N
XLogP13.58
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.75
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-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

N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(8-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081939
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081783
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 177081945
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177081596
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 177082246
N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128817

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine (CID 177081573) is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine is c1ccc(-c2cccc3cc(N(c4ccc5c(c4)oc4cccc(-c6nc7ccccc7o6)c45)c4cccc5c4oc4ccccc45)ccc23)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine?
The InChIKey is OXJNZZHKMRFRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O3/c1-2-11-29(12-3-1)33-15-8-13-30-27-31(23-25-34(30)33)49(40-19-9-16-36-35-14-4-6-20-41(35)51-46(36)40)32-24-26-37-44(28-32)50-43-22-10-17-38(45(37)43)47-48-39-18-5-7-21-42(39)52-47/h1-28H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine?
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine has a molecular weight of 668.75 g/mol, XLogP of 13.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 177081573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).