11-methylbenzo[b][1]benzarsepine

C15H13As — CID 177485802

IUPAC11-methylbenzo[b][1]benzarsepine
SMILESC[As]1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C15H13As/c1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-11H,1H3
InChIKeyFHYGAPBZBHBFOI-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.41
Rot. Bonds

About 11-methylbenzo[b][1]benzarsepine

11-methylbenzo[b][1]benzarsepine (PubChem CID 177485802) has the molecular formula C15H13As and a molecular weight of 268.19 g/mol. Its IUPAC name is 11-methylbenzo[b][1]benzarsepine.

Molecular Properties

Compound Name11-methylbenzo[b][1]benzarsepine
PubChem CID177485802
Molecular FormulaC15H13As
Molecular Weight268.19 g/mol
Exact Mass268.02
IUPAC Name11-methylbenzo[b][1]benzarsepine
SMILESC[As]1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C15H13As/c1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-11H,1H3
InChIKeyFHYGAPBZBHBFOI-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5,10-dimethylphenarsazinine
CID 22955390
7-methylbenzo[7]annulene
CID 142045032
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 145199366
tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene
CID 154168790
azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
CID 134900349
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
CID 175350571
CID 175350571
2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine
CID 142248238
acenaphthylene;ethane
CID 54237459
CID 10931479
CID 10931479
N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 102513812

Frequently Asked Questions

What is the IUPAC name of 11-methylbenzo[b][1]benzarsepine?
The IUPAC name of 11-methylbenzo[b][1]benzarsepine (CID 177485802) is 11-methylbenzo[b][1]benzarsepine.
What is the SMILES notation for 11-methylbenzo[b][1]benzarsepine?
The canonical SMILES for 11-methylbenzo[b][1]benzarsepine is C[As]1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 11-methylbenzo[b][1]benzarsepine?
The InChIKey is FHYGAPBZBHBFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13As/c1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-11H,1H3.
What are the key properties of 11-methylbenzo[b][1]benzarsepine?
11-methylbenzo[b][1]benzarsepine has a molecular weight of 268.19 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylbenzo[b][1]benzarsepine is sourced from PubChem (CID 177485802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).