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

C41H30N2O2 — CID 170024209

IUPACN-(2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-dibenzofuran-2-yl-2-phenylbenzo[g][1,3]benzoxazol-8-amine
SMILESC1=CCCC(C2=CC=CCC2N(c2ccc3oc4ccccc4c3c2)c2ccc3ccc4nc(-c5ccccc5)oc4c3c2)=C1
InChIInChI=1S/C41H30N2O2/c1-3-11-27(12-4-1)32-15-7-9-17-37(32)43(31-22-24-39-35(26-31)33-16-8-10-18-38(33)44-39)30-21-19-28-20-23-36-40(34(28)25-30)45-41(42-36)29-13-5-2-6-14-29/h1-3,5-11,13-16,18-26,37H,4,12,17H2
InChIKeyBQAKYGMCMVJMSK-UHFFFAOYSA-N
MW582.70 g/mol
LogP11.22
Rot. Bonds5

About 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

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 (PubChem CID 170024209) has the molecular formula C41H30N2O2 and a molecular weight of 582.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-dibenzofuran-2-yl-2-phenylbenzo[g][1,3]benzoxazol-8-amine
PubChem CID170024209
Molecular FormulaC41H30N2O2
Molecular Weight582.70 g/mol
Exact Mass582.23
IUPAC NameN-(2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-dibenzofuran-2-yl-2-phenylbenzo[g][1,3]benzoxazol-8-amine
SMILESC1=CCCC(C2=CC=CCC2N(c2ccc3oc4ccccc4c3c2)c2ccc3ccc4nc(-c5ccccc5)oc4c3c2)=C1
InChIInChI=1S/C41H30N2O2/c1-3-11-27(12-4-1)32-15-7-9-17-37(32)43(31-22-24-39-35(26-31)33-16-8-10-18-38(33)44-39)30-21-19-28-20-23-36-40(34(28)25-30)45-41(42-36)29-13-5-2-6-14-29/h1-3,5-11,13-16,18-26,37H,4,12,17H2
InChIKeyBQAKYGMCMVJMSK-UHFFFAOYSA-N
XLogP11.22
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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-(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
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,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-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053230
N-dibenzofuran-2-yl-N-phenanthren-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053168
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N-(4-methylphenyl)-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-2-amine
CID 170244607
4-dibenzofuran-2-yl-N-(4-naphtho[2,1-g][1,3]benzoxazol-2-ylphenyl)-N-phenylaniline
CID 177119854
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine
CID 174293870
N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 155473991
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCCC(C2=CC=CCC2N(c2ccc3oc4ccccc4c3c2)c2ccc3ccc4nc(-c5ccccc5)oc4c3c2)=C1.
What is the InChIKey of 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?
The InChIKey is BQAKYGMCMVJMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2O2/c1-3-11-27(12-4-1)32-15-7-9-17-37(32)43(31-22-24-39-35(26-31)33-16-8-10-18-38(33)44-39)30-21-19-28-20-23-36-40(34(28)25-30)45-41(42-36)29-13-5-2-6-14-29/h1-3,5-11,13-16,18-26,37H,4,12,17H2.
What are the key properties of 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?
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 has a molecular weight of 582.70 g/mol, XLogP of 11.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170024209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).