N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine

C43H24N2O4 — CID 167123339

IUPACN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2nc3c(cc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)c4oc5ccccc5c43)o2)cc1
InChIInChI=1S/C43H24N2O4/c1-2-10-25(11-3-1)43-44-41-39(49-43)24-33(42-40(41)31-14-6-9-17-36(31)48-42)45(26-19-21-37-32(22-26)29-13-5-8-16-35(29)46-37)27-18-20-30-28-12-4-7-15-34(28)47-38(30)23-27/h1-24H
InChIKeyOBHBLMYMHHBXRL-UHFFFAOYSA-N
MW632.68 g/mol
LogP12.66
Rot. Bonds4

About N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine

N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine (PubChem CID 167123339) has the molecular formula C43H24N2O4 and a molecular weight of 632.68 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
PubChem CID167123339
Molecular FormulaC43H24N2O4
Molecular Weight632.68 g/mol
Exact Mass632.17
IUPAC NameN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2nc3c(cc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)c4oc5ccccc5c43)o2)cc1
InChIInChI=1S/C43H24N2O4/c1-2-10-25(11-3-1)43-44-41-39(49-43)24-33(42-40(41)31-14-6-9-17-36(31)48-42)45(26-19-21-37-32(22-26)29-13-5-8-16-35(29)46-37)27-18-20-30-28-12-4-7-15-34(28)47-38(30)23-27/h1-24H
InChIKeyOBHBLMYMHHBXRL-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-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123462
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167124758
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129154
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124784
N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124695
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine
CID 170247640
4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247586
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123510

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine (CID 167123339) is N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine is c1ccc(-c2nc3c(cc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)c4oc5ccccc5c43)o2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
The InChIKey is OBHBLMYMHHBXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O4/c1-2-10-25(11-3-1)43-44-41-39(49-43)24-33(42-40(41)31-14-6-9-17-36(31)48-42)45(26-19-21-37-32(22-26)29-13-5-8-16-35(29)46-37)27-18-20-30-28-12-4-7-15-34(28)47-38(30)23-27/h1-24H.
What are the key properties of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine?
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-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-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine is sourced from PubChem (CID 167123339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).