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

C49H30N2O3 — CID 167124589

IUPACN-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3ccc4oc5cc(N(c6ccc(-c7ccccc7-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)ccc5c4c3o2)cc1
InChIInChI=1S/C49H30N2O3/c1-3-12-31(13-4-1)36-16-7-8-17-37(36)32-22-24-34(25-23-32)51(41-19-11-21-43-46(41)38-18-9-10-20-42(38)52-43)35-26-27-39-45(30-35)53-44-29-28-40-48(47(39)44)54-49(50-40)33-14-5-2-6-15-33/h1-30H
InChIKeyRLZXJTUARMPJOF-UHFFFAOYSA-N
MW694.79 g/mol
LogP14.10
Rot. Bonds6

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

N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine (PubChem CID 167124589) has the molecular formula C49H30N2O3 and a molecular weight of 694.79 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
PubChem CID167124589
Molecular FormulaC49H30N2O3
Molecular Weight694.79 g/mol
Exact Mass694.23
IUPAC NameN-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3ccc4oc5cc(N(c6ccc(-c7ccccc7-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)ccc5c4c3o2)cc1
InChIInChI=1S/C49H30N2O3/c1-3-12-31(13-4-1)36-16-7-8-17-37(36)32-22-24-34(25-23-32)51(41-19-11-21-43-46(41)38-18-9-10-20-42(38)52-43)35-26-27-39-45(30-35)53-44-29-28-40-48(47(39)44)54-49(50-40)33-14-5-2-6-15-33/h1-30H
InChIKeyRLZXJTUARMPJOF-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-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167124386
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
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
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122974
9-benzo[g][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177082016
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167123039
N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112795
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124926
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-4-amine
CID 163893650
N-(4-dibenzofuran-1-ylphenyl)-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 176631492

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine (CID 167124589) is N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine is c1ccc(-c2nc3ccc4oc5cc(N(c6ccc(-c7ccccc7-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)ccc5c4c3o2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The InChIKey is RLZXJTUARMPJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O3/c1-3-12-31(13-4-1)36-16-7-8-17-37(36)32-22-24-34(25-23-32)51(41-19-11-21-43-46(41)38-18-9-10-20-42(38)52-43)35-26-27-39-45(30-35)53-44-29-28-40-48(47(39)44)54-49(50-40)33-14-5-2-6-15-33/h1-30H.
What are the key properties of N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][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-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167124589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).