N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

C49H30N2O3 — CID 167123180

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C49H30N2O3/c1-3-10-31(11-4-1)32-18-22-35(23-19-32)51(36-24-20-33(21-25-36)38-15-9-16-40-39-14-7-8-17-42(39)53-48(38)40)37-26-27-41-45(30-37)52-43-28-29-44-47(46(41)43)50-49(54-44)34-12-5-2-6-13-34/h1-30H
InChIKeyPSYFDANJSGVWSO-UHFFFAOYSA-N
MW694.79 g/mol
LogP14.10
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (PubChem CID 167123180) has the molecular formula C49H30N2O3 and a molecular weight of 694.79 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
PubChem CID167123180
Molecular FormulaC49H30N2O3
Molecular Weight694.79 g/mol
Exact Mass694.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C49H30N2O3/c1-3-10-31(11-4-1)32-18-22-35(23-19-32)51(36-24-20-33(21-25-36)38-15-9-16-40-39-14-7-8-17-42(39)53-48(38)40)37-26-27-41-45(30-37)52-43-28-29-44-47(46(41)43)50-49(54-44)34-12-5-2-6-13-34/h1-30H
InChIKeyPSYFDANJSGVWSO-UHFFFAOYSA-N
XLogP14.10
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.79
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123759
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123462
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168807244
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (CID 167123180) is N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The InChIKey is PSYFDANJSGVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O3/c1-3-10-31(11-4-1)32-18-22-35(23-19-32)51(36-24-20-33(21-25-36)38-15-9-16-40-39-14-7-8-17-42(39)53-48(38)40)37-26-27-41-45(30-37)52-43-28-29-44-47(46(41)43)50-49(54-44)34-12-5-2-6-13-34/h1-30H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine has a molecular weight of 694.79 g/mol, XLogP of 14.10, 6 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)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167123180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).