N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine

C49H30N2O3 — CID 167123003

IUPACN-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3ccc4oc5c(N(c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c6ccc7oc8ccccc8c7c6)cccc5c4c3o2)cc1
InChIInChI=1S/C49H30N2O3/c1-4-13-31(14-5-1)36-25-23-34(29-39(36)32-15-6-2-7-16-32)51(35-24-27-44-40(30-35)37-19-10-11-22-43(37)52-44)42-21-12-20-38-46-45(53-47(38)42)28-26-41-48(46)54-49(50-41)33-17-8-3-9-18-33/h1-30H
InChIKeyYOLPAZTYJOIZAZ-UHFFFAOYSA-N
MW694.79 g/mol
LogP14.10
Rot. Bonds6

About N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine

N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine (PubChem CID 167123003) has the molecular formula C49H30N2O3 and a molecular weight of 694.79 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
PubChem CID167123003
Molecular FormulaC49H30N2O3
Molecular Weight694.79 g/mol
Exact Mass694.23
IUPAC NameN-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3ccc4oc5c(N(c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c6ccc7oc8ccccc8c7c6)cccc5c4c3o2)cc1
InChIInChI=1S/C49H30N2O3/c1-4-13-31(14-5-1)36-25-23-34(29-39(36)32-15-6-2-7-16-32)51(35-24-27-44-40(30-35)37-19-10-11-22-43(37)52-44)42-21-12-20-38-46-45(53-47(38)42)28-26-41-48(46)54-49(50-41)33-17-8-3-9-18-33/h1-30H
InChIKeyYOLPAZTYJOIZAZ-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-dibenzofuran-1-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124429
N,N-di(dibenzofuran-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631324
N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112985
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122974
N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)naphthalen-1-yl]dibenzofuran-3-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 167669562
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
CID 167127715
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631630
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124467
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine
CID 174293870
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine (CID 167123003) is N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine is c1ccc(-c2nc3ccc4oc5c(N(c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c6ccc7oc8ccccc8c7c6)cccc5c4c3o2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine?
The InChIKey is YOLPAZTYJOIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O3/c1-4-13-31(14-5-1)36-25-23-34(29-39(36)32-15-6-2-7-16-32)51(35-24-27-44-40(30-35)37-19-10-11-22-43(37)52-44)42-21-12-20-38-46-45(53-47(38)42)28-26-41-48(46)54-49(50-41)33-17-8-3-9-18-33/h1-30H.
What are the key properties of N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine?
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-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-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine is sourced from PubChem (CID 167123003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).