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

C49H32N2O3 — CID 167123223

IUPACN-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
SMILESC1=CCCC(c2cc(N(c3ccc4c(c3)oc3ccc5nc(-c6ccccc6)oc5c34)c3ccc4oc5ccccc5c4c3)ccc2-c2ccccc2)=C1
InChIInChI=1S/C49H32N2O3/c1-4-12-31(13-5-1)37-23-20-34(28-40(37)32-14-6-2-7-15-32)51(35-22-26-44-41(29-35)38-18-10-11-19-43(38)52-44)36-21-24-39-46(30-36)53-45-27-25-42-48(47(39)45)54-49(50-42)33-16-8-3-9-17-33/h1-6,8-14,16-30H,7,15H2
InChIKeyLFEJEOZJAWPFLV-UHFFFAOYSA-N
MW696.81 g/mol
LogP14.16
Rot. Bonds6

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

N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine (PubChem CID 167123223) has the molecular formula C49H32N2O3 and a molecular weight of 696.81 g/mol. Its IUPAC name is N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
PubChem CID167123223
Molecular FormulaC49H32N2O3
Molecular Weight696.81 g/mol
Exact Mass696.24
IUPAC NameN-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
SMILESC1=CCCC(c2cc(N(c3ccc4c(c3)oc3ccc5nc(-c6ccccc6)oc5c34)c3ccc4oc5ccccc5c4c3)ccc2-c2ccccc2)=C1
InChIInChI=1S/C49H32N2O3/c1-4-12-31(13-5-1)37-23-20-34(28-40(37)32-14-6-2-7-15-32)51(35-22-26-44-41(29-35)38-18-10-11-19-43(38)52-44)36-21-24-39-46(30-36)53-45-27-25-42-48(47(39)45)54-49(50-42)33-16-8-3-9-17-33/h1-6,8-14,16-30H,7,15H2
InChIKeyLFEJEOZJAWPFLV-UHFFFAOYSA-N
XLogP14.16
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.81
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-2-amine
CID 167123705
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
CID 167123003
N-dibenzofuran-1-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124429
N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177119511
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N-(2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-dibenzofuran-2-yl-2-phenylbenzo[g][1,3]benzoxazol-8-amine
CID 170024209
N-dibenzofuran-2-yl-N-phenanthren-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053168
N-dibenzofuran-3-yl-17-phenyl-N-(3-phenylphenyl)-16-oxa-18-azapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(14),2,4,6,8(13),9,11,15(19),17,20-decaen-11-amine
CID 165027441

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The IUPAC name of N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine (CID 167123223) is N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine is C1=CCCC(c2cc(N(c3ccc4c(c3)oc3ccc5nc(-c6ccccc6)oc5c34)c3ccc4oc5ccccc5c4c3)ccc2-c2ccccc2)=C1.
What is the InChIKey of N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The InChIKey is LFEJEOZJAWPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O3/c1-4-12-31(13-5-1)37-23-20-34(28-40(37)32-14-6-2-7-15-32)51(35-22-26-44-41(29-35)38-18-10-11-19-43(38)52-44)36-21-24-39-46(30-36)53-45-27-25-42-48(47(39)45)54-49(50-42)33-16-8-3-9-17-33/h1-6,8-14,16-30H,7,15H2.
What are the key properties of N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine has a molecular weight of 696.81 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-N-dibenzofuran-2-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167123223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).