N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine

C47H28N2O3 — CID 177082233

IUPACN-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cccc(-c4nc5ccccc5o4)c23)c2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1
InChIInChI=1S/C47H28N2O3/c1-2-12-32(13-3-1)49(34-22-24-36-44(28-34)51-43-19-9-15-37(46(36)43)47-48-39-16-6-7-17-41(39)52-47)33-23-25-40-38(27-33)45-35(14-8-18-42(45)50-40)31-21-20-29-10-4-5-11-30(29)26-31/h1-28H
InChIKeyKHRLKEHFWJMVQR-UHFFFAOYSA-N
MW668.75 g/mol
LogP13.58
Rot. Bonds5

About N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine

N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine (PubChem CID 177082233) has the molecular formula C47H28N2O3 and a molecular weight of 668.75 g/mol. Its IUPAC name is N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine
PubChem CID177082233
Molecular FormulaC47H28N2O3
Molecular Weight668.75 g/mol
Exact Mass668.21
IUPAC NameN-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cccc(-c4nc5ccccc5o4)c23)c2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1
InChIInChI=1S/C47H28N2O3/c1-2-12-32(13-3-1)49(34-22-24-36-44(28-34)51-43-19-9-15-37(46(36)43)47-48-39-16-6-7-17-41(39)52-47)33-23-25-40-38(27-33)45-35(14-8-18-42(45)50-40)31-21-20-29-10-4-5-11-30(29)26-31/h1-28H
InChIKeyKHRLKEHFWJMVQR-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 N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-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

9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177082064
9-(1,3-benzoxazol-2-yl)-N,N-diphenyl-17-oxatricyclo[8.7.0.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-amine
CID 171755445
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
CID 177082383
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(8-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081939
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 166055376

Frequently Asked Questions

What is the IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine (CID 177082233) is N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine is c1ccc(N(c2ccc3c(c2)oc2cccc(-c4nc5ccccc5o4)c23)c2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.
What is the InChIKey of N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine?
The InChIKey is KHRLKEHFWJMVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O3/c1-2-12-32(13-3-1)49(34-22-24-36-44(28-34)51-43-19-9-15-37(46(36)43)47-48-39-16-6-7-17-41(39)52-47)33-23-25-40-38(27-33)45-35(14-8-18-42(45)50-40)31-21-20-29-10-4-5-11-30(29)26-31/h1-28H.
What are the key properties of N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine?
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-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 N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 177082233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).