N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine

C43H26N2O3 — CID 167123009

IUPACN-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc4oc5ccccc5c4c3o2)cc1
InChIInChI=1S/C43H26N2O3/c1-3-12-28(13-4-1)43-44-40-35(26-38-39(42(40)48-43)34-17-8-10-21-37(34)46-38)45(29-14-5-2-6-15-29)30-24-22-27(23-25-30)31-18-11-19-33-32-16-7-9-20-36(32)47-41(31)33/h1-26H
InChIKeyDFAOMQLJVFDESA-UHFFFAOYSA-N
MW618.69 g/mol
LogP12.43
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine (PubChem CID 167123009) has the molecular formula C43H26N2O3 and a molecular weight of 618.69 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
PubChem CID167123009
Molecular FormulaC43H26N2O3
Molecular Weight618.69 g/mol
Exact Mass618.19
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc4oc5ccccc5c4c3o2)cc1
InChIInChI=1S/C43H26N2O3/c1-3-12-28(13-4-1)43-44-40-35(26-38-39(42(40)48-43)34-17-8-10-21-37(34)46-38)45(29-14-5-2-6-15-29)30-24-22-27(23-25-30)31-18-11-19-33-32-16-7-9-20-36(32)47-41(31)33/h1-26H
InChIKeyDFAOMQLJVFDESA-UHFFFAOYSA-N
XLogP12.43
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167124362
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123804
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 167124692
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123510
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167123196
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-5-amine
CID 177119804
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-N,2-diphenylaniline
CID 177089780
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604838
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine (CID 167123009) is N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine is c1ccc(-c2nc3c(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc4oc5ccccc5c4c3o2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine?
The InChIKey is DFAOMQLJVFDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O3/c1-3-12-28(13-4-1)43-44-40-35(26-38-39(42(40)48-43)34-17-8-10-21-37(34)46-38)45(29-14-5-2-6-15-29)30-24-22-27(23-25-30)31-18-11-19-33-32-16-7-9-20-36(32)47-41(31)33/h1-26H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine has a molecular weight of 618.69 g/mol, XLogP of 12.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine is sourced from PubChem (CID 167123009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).