9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C41H25FN2O2 — CID 177081783

IUPAC9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESFc1ccccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2c(c1)oc1cccc(-c3nc4ccccc4o3)c12
InChIInChI=1S/C41H25FN2O2/c42-34-14-3-5-16-36(34)44(28-21-19-27(20-22-28)31-12-7-10-26-9-1-2-11-30(26)31)29-23-24-32-39(25-29)45-38-18-8-13-33(40(32)38)41-43-35-15-4-6-17-37(35)46-41/h1-25H
InChIKeyDFEZIXWVQKRXJO-UHFFFAOYSA-N
MW596.66 g/mol
LogP11.82
Rot. Bonds5

About 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 177081783) has the molecular formula C41H25FN2O2 and a molecular weight of 596.66 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID177081783
Molecular FormulaC41H25FN2O2
Molecular Weight596.66 g/mol
Exact Mass596.19
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESFc1ccccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2c(c1)oc1cccc(-c3nc4ccccc4o3)c12
InChIInChI=1S/C41H25FN2O2/c42-34-14-3-5-16-36(34)44(28-21-19-27(20-22-28)31-12-7-10-26-9-1-2-11-30(26)31)29-23-24-32-39(25-29)45-38-18-8-13-33(40(32)38)41-43-35-15-4-6-17-37(35)46-41/h1-25H
InChIKeyDFEZIXWVQKRXJO-UHFFFAOYSA-N
XLogP11.82
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.66
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573
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-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
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-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
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-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177081596
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
CID 177081610
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177081618
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081354

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 177081783) is 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is Fc1ccccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2c(c1)oc1cccc(-c3nc4ccccc4o3)c12.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is DFEZIXWVQKRXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25FN2O2/c42-34-14-3-5-16-36(34)44(28-21-19-27(20-22-28)31-12-7-10-26-9-1-2-11-30(26)31)29-23-24-32-39(25-29)45-38-18-8-13-33(40(32)38)41-43-35-15-4-6-17-37(35)46-41/h1-25H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 596.66 g/mol, XLogP of 11.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177081783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).