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

C41H26N2O2 — CID 177082253

IUPAC9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c2oc2cccc(-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C41H26N2O2/c1-2-12-31(13-3-1)43(32-24-22-28(23-25-32)30-21-20-27-10-4-5-11-29(27)26-30)36-17-8-14-33-39-34(15-9-19-38(39)44-40(33)36)41-42-35-16-6-7-18-37(35)45-41/h1-26H
InChIKeyUSVJVZPYFZPEPF-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.68
Rot. Bonds5

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

9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine (PubChem CID 177082253) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
PubChem CID177082253
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c2oc2cccc(-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C41H26N2O2/c1-2-12-31(13-3-1)43(32-24-22-28(23-25-32)30-21-20-27-10-4-5-11-29(27)26-30)36-17-8-14-33-39-34(15-9-19-38(39)44-40(33)36)41-42-35-16-6-7-18-37(35)45-41/h1-26H
InChIKeyUSVJVZPYFZPEPF-UHFFFAOYSA-N
XLogP11.68
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
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-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081862
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-dibenzothiophen-2-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177082079
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
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-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177082064
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-2-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 177081370

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine (CID 177082253) is 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c2oc2cccc(-c4nc5ccccc5o4)c23)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine?
The InChIKey is USVJVZPYFZPEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-2-12-31(13-3-1)43(32-24-22-28(23-25-32)30-21-20-27-10-4-5-11-29(27)26-30)36-17-8-14-33-39-34(15-9-19-38(39)44-40(33)36)41-42-35-16-6-7-18-37(35)45-41/h1-26H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine?
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine has a molecular weight of 578.67 g/mol, XLogP of 11.68, 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-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 177082253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).