N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine

C50H31N3O3 — CID 170716713

IUPACN,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3ccc(-c4ccc(N(c5ccc(-c6ccc7nc(-c8ccccc8)oc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc3o2)cc1
InChIInChI=1S/C50H31N3O3/c1-3-9-34(10-4-1)49-51-43-27-19-36(29-47(43)55-49)32-15-21-38(22-16-32)53(40-25-26-42-41-13-7-8-14-45(41)54-46(42)31-40)39-23-17-33(18-24-39)37-20-28-44-48(30-37)56-50(52-44)35-11-5-2-6-12-35/h1-31H
InChIKeyAFCOXVMRRHEQIO-UHFFFAOYSA-N
MW721.82 g/mol
LogP14.01
Rot. Bonds7

About N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine

N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine (PubChem CID 170716713) has the molecular formula C50H31N3O3 and a molecular weight of 721.82 g/mol. Its IUPAC name is N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
PubChem CID170716713
Molecular FormulaC50H31N3O3
Molecular Weight721.82 g/mol
Exact Mass721.24
IUPAC NameN,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3ccc(-c4ccc(N(c5ccc(-c6ccc7nc(-c8ccccc8)oc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc3o2)cc1
InChIInChI=1S/C50H31N3O3/c1-3-9-34(10-4-1)49-51-43-27-19-36(29-47(43)55-49)32-15-21-38(22-16-32)53(40-25-26-42-41-13-7-8-14-45(41)54-46(42)31-40)39-23-17-33(18-24-39)37-20-28-44-48(30-37)56-50(52-44)35-11-5-2-6-12-35/h1-31H
InChIKeyAFCOXVMRRHEQIO-UHFFFAOYSA-N
XLogP14.01
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.82
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine
CID 171755442
N-(4-dibenzofuran-3-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743053
N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129536
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
CID 171455606
2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
CID 163575240
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,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
N-dibenzofuran-3-yl-7-phenyl-N-(4-phenylphenyl)-8-oxa-6-azapentacyclo[11.8.0.02,10.05,9.016,21]henicosa-1(13),2(10),3,5(9),6,11,14,16(21),17,19-decaen-18-amine
CID 176851434

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine (CID 170716713) is N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2nc3ccc(-c4ccc(N(c5ccc(-c6ccc7nc(-c8ccccc8)oc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc3o2)cc1.
What is the InChIKey of N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is AFCOXVMRRHEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O3/c1-3-9-34(10-4-1)49-51-43-27-19-36(29-47(43)55-49)32-15-21-38(22-16-32)53(40-25-26-42-41-13-7-8-14-45(41)54-46(42)31-40)39-23-17-33(18-24-39)37-20-28-44-48(30-37)56-50(52-44)35-11-5-2-6-12-35/h1-31H.
What are the key properties of N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine?
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 721.82 g/mol, XLogP of 14.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 170716713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).