N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine

C43H24N2O4 — CID 167123462

IUPACN,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cc5c43)o2)cc1
InChIInChI=1S/C43H24N2O4/c1-2-8-25(9-3-1)43-44-42-38(49-43)21-20-37-41(42)33-22-26(16-19-36(33)46-37)45(27-14-17-31-29-10-4-6-12-34(29)47-39(31)23-27)28-15-18-32-30-11-5-7-13-35(30)48-40(32)24-28/h1-24H
InChIKeyUIOFGIALIHGYPT-UHFFFAOYSA-N
MW632.68 g/mol
LogP12.66
Rot. Bonds4

About N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine

N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine (PubChem CID 167123462) has the molecular formula C43H24N2O4 and a molecular weight of 632.68 g/mol. Its IUPAC name is N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine.

Molecular Properties

Compound NameN,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
PubChem CID167123462
Molecular FormulaC43H24N2O4
Molecular Weight632.68 g/mol
Exact Mass632.17
IUPAC NameN,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cc5c43)o2)cc1
InChIInChI=1S/C43H24N2O4/c1-2-8-25(9-3-1)43-44-42-38(49-43)21-20-37-41(42)33-22-26(16-19-36(33)46-37)45(27-14-17-31-29-10-4-6-12-34(29)47-39(31)23-27)28-15-18-32-30-11-5-7-13-35(30)48-40(32)24-28/h1-24H
InChIKeyUIOFGIALIHGYPT-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,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123178
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123968
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167125034
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123339
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The IUPAC name of N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine (CID 167123462) is N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine.
What is the SMILES notation for N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The canonical SMILES for N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine is c1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cc5c43)o2)cc1.
What is the InChIKey of N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The InChIKey is UIOFGIALIHGYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O4/c1-2-8-25(9-3-1)43-44-42-38(49-43)21-20-37-41(42)33-22-26(16-19-36(33)46-37)45(27-14-17-31-29-10-4-6-12-34(29)47-39(31)23-27)28-15-18-32-30-11-5-7-13-35(30)48-40(32)24-28/h1-24H.
What are the key properties of N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-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 N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine is sourced from PubChem (CID 167123462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).