2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one

C26H23NO2 — CID 11501811

IUPAC2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one
SMILESCC1(C)Oc2ccc(C=C3c4ccccc4CCc4ccccc43)cc2NC1=O
InChIInChI=1S/C26H23NO2/c1-26(2)25(28)27-23-16-17(11-14-24(23)29-26)15-22-20-9-5-3-7-18(20)12-13-19-8-4-6-10-21(19)22/h3-11,14-16H,12-13H2,1-2H3,(H,27,28)
InChIKeyNOQPFHQXRWTSIG-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.48
Rot. Bonds1

About 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one

2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 11501811) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one
PubChem CID11501811
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one
SMILESCC1(C)Oc2ccc(C=C3c4ccccc4CCc4ccccc43)cc2NC1=O
InChIInChI=1S/C26H23NO2/c1-26(2)25(28)27-23-16-17(11-14-24(23)29-26)15-22-20-9-5-3-7-18(20)12-13-19-8-4-6-10-21(19)22/h3-11,14-16H,12-13H2,1-2H3,(H,27,28)
InChIKeyNOQPFHQXRWTSIG-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one 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

Bisoxatin Acetate
CID 26391
Bisoxatin
CID 28689
Naproanilide
CID 40413
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
6-[(~{e})-(3-Fluoranyl-6~{h}-Benzo[c][1]benzoxepin-11-Ylidene)methyl]-4~{h}-1,4-Benzoxazin-3-One
CID 118796369
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551
4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-N-(2-methoxy-5-methylphenyl)-6-methyl-3-oxo-(9CI)
CID 1455749
N-(2-methoxyphenyl)-2-naphthalen-2-yloxyacetamide
CID 1717965
(2Z)-2-benzylidene-2H-1,4-benzoxazin-3(4H)-one
CID 12348491
4-[2-(4-Ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16299176
2-phenoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 796058
6-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 9967004

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one (CID 11501811) is 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one is CC1(C)Oc2ccc(C=C3c4ccccc4CCc4ccccc43)cc2NC1=O.
What is the InChIKey of 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is NOQPFHQXRWTSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-26(2)25(28)27-23-16-17(11-14-24(23)29-26)15-22-20-9-5-3-7-18(20)12-13-19-8-4-6-10-21(19)22/h3-11,14-16H,12-13H2,1-2H3,(H,27,28).
What are the key properties of 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one?
2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 381.48 g/mol, XLogP of 5.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 11501811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).