N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine

C37H24N2O3 — CID 170395559

IUPACN-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
SMILESC1=CCCC(N(c2ccc3oc4ccc5oc(-c6ccccc6)nc5c4c3c2)c2cccc3oc4ccccc4c23)=C1
InChIInChI=1S/C37H24N2O3/c1-3-10-23(11-4-1)37-38-36-33(42-37)21-20-32-35(36)27-22-25(18-19-30(27)41-32)39(24-12-5-2-6-13-24)28-15-9-17-31-34(28)26-14-7-8-16-29(26)40-31/h1-5,7-12,14-22H,6,13H2
InChIKeyCVAMLRUPCMZEKE-UHFFFAOYSA-N
MW544.61 g/mol
LogP10.67
Rot. Bonds4

About N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine

N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine (PubChem CID 170395559) has the molecular formula C37H24N2O3 and a molecular weight of 544.61 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
PubChem CID170395559
Molecular FormulaC37H24N2O3
Molecular Weight544.61 g/mol
Exact Mass544.18
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
SMILESC1=CCCC(N(c2ccc3oc4ccc5oc(-c6ccccc6)nc5c4c3c2)c2cccc3oc4ccccc4c23)=C1
InChIInChI=1S/C37H24N2O3/c1-3-10-23(11-4-1)37-38-36-33(42-37)21-20-32-35(36)27-22-25(18-19-30(27)41-32)39(24-12-5-2-6-13-24)28-15-9-17-31-34(28)26-14-7-8-16-29(26)40-31/h1-5,7-12,14-22H,6,13H2
InChIKeyCVAMLRUPCMZEKE-UHFFFAOYSA-N
XLogP10.67
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.61
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-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-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
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-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123462
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine
CID 170247666
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119483
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123968
N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 171410290

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine (CID 170395559) is N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine is C1=CCCC(N(c2ccc3oc4ccc5oc(-c6ccccc6)nc5c4c3c2)c2cccc3oc4ccccc4c23)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The InChIKey is CVAMLRUPCMZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O3/c1-3-10-23(11-4-1)37-38-36-33(42-37)21-20-32-35(36)27-22-25(18-19-30(27)41-32)39(24-12-5-2-6-13-24)28-15-9-17-31-34(28)26-14-7-8-16-29(26)40-31/h1-5,7-12,14-22H,6,13H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine has a molecular weight of 544.61 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-dibenzofuran-1-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine is sourced from PubChem (CID 170395559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).