9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine

C43H24N2O4 — CID 177082383

IUPAC9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
SMILESc1ccc2oc(-c3cccc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)cc5c34)nc2c1
InChIInChI=1S/C43H24N2O4/c1-4-12-35-28(8-1)30-19-16-27(24-41(30)48-35)45(25-17-20-37-32(22-25)29-9-2-5-13-36(29)46-37)26-18-21-38-33(23-26)42-31(10-7-15-40(42)47-38)43-44-34-11-3-6-14-39(34)49-43/h1-24H
InChIKeyFDZXUQJAASJERU-UHFFFAOYSA-N
MW632.68 g/mol
LogP12.66
Rot. Bonds4

About 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine (PubChem CID 177082383) has the molecular formula C43H24N2O4 and a molecular weight of 632.68 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
PubChem CID177082383
Molecular FormulaC43H24N2O4
Molecular Weight632.68 g/mol
Exact Mass632.17
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
SMILESc1ccc2oc(-c3cccc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)cc5c34)nc2c1
InChIInChI=1S/C43H24N2O4/c1-4-12-35-28(8-1)30-19-16-27(24-41(30)48-35)45(25-17-20-37-32(22-25)29-9-2-5-13-36(29)46-37)26-18-21-38-33(23-26)42-31(10-7-15-40(42)47-38)43-44-34-11-3-6-14-39(34)49-43/h1-24H
InChIKeyFDZXUQJAASJERU-UHFFFAOYSA-N
XLogP12.66
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.68
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 177081402
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-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine
CID 177081884
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
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 177082052
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine
CID 177082233
9-(1,3-benzoxazol-2-yl)-N,N-di(dibenzothiophen-2-yl)dibenzofuran-3-amine
CID 177082408
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 177081784
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine (CID 177082383) is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine is c1ccc2oc(-c3cccc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)cc5c34)nc2c1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine?
The InChIKey is FDZXUQJAASJERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O4/c1-4-12-35-28(8-1)30-19-16-27(24-41(30)48-35)45(25-17-20-37-32(22-25)29-9-2-5-13-36(29)46-37)26-18-21-38-33(23-26)42-31(10-7-15-40(42)47-38)43-44-34-11-3-6-14-39(34)49-43/h1-24H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine?
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine has a molecular weight of 632.68 g/mol, XLogP of 12.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine is sourced from PubChem (CID 177082383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).