N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine

C43H26N2O3 — CID 170776922

IUPACN-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2c(-c3ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc3)cccc24)cc1
InChIInChI=1S/C43H26N2O3/c1-3-10-28(11-4-1)43-44-37-25-36-35-16-9-15-32(42(35)47-40(36)26-41(37)48-43)27-18-20-30(21-19-27)45(29-12-5-2-6-13-29)31-22-23-34-33-14-7-8-17-38(33)46-39(34)24-31/h1-26H
InChIKeyNEUQONHUTLRSFY-UHFFFAOYSA-N
MW618.69 g/mol
LogP12.43
Rot. Bonds5

About N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine

N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine (PubChem CID 170776922) has the molecular formula C43H26N2O3 and a molecular weight of 618.69 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
PubChem CID170776922
Molecular FormulaC43H26N2O3
Molecular Weight618.69 g/mol
Exact Mass618.19
IUPAC NameN-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2c(-c3ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc3)cccc24)cc1
InChIInChI=1S/C43H26N2O3/c1-3-10-28(11-4-1)43-44-37-25-36-35-16-9-15-32(42(35)47-40(36)26-41(37)48-43)27-18-20-30(21-19-27)45(29-12-5-2-6-13-29)31-22-23-34-33-14-7-8-17-38(33)46-39(34)24-31/h1-26H
InChIKeyNEUQONHUTLRSFY-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-(4-naphthalen-1-ylphenyl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167127303
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127200
3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776807
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128817
N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine
CID 171755327
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128856
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-2-amine
CID 167127808
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 167127255
8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167127603

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine (CID 170776922) is N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2nc3cc4c(cc3o2)oc2c(-c3ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc3)cccc24)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is NEUQONHUTLRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O3/c1-3-10-28(11-4-1)43-44-37-25-36-35-16-9-15-32(42(35)47-40(36)26-41(37)48-43)27-18-20-30(21-19-27)45(29-12-5-2-6-13-29)31-22-23-34-33-14-7-8-17-38(33)46-39(34)24-31/h1-26H.
What are the key properties of N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine?
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-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-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 170776922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).