9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine

C21H15NO — CID 167697505

IUPAC9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine
SMILESCc1ccc2c(oc3c2ccc2c4ccccc4cnc23)c1C
InChIInChI=1S/C21H15NO/c1-12-7-8-17-18-10-9-16-15-6-4-3-5-14(15)11-22-19(16)21(18)23-20(17)13(12)2/h3-11H,1-2H3
InChIKeyPMSBMUGKGMUHNC-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.90
Rot. Bonds

About 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine

9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine (PubChem CID 167697505) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine.

Molecular Properties

Compound Name9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine
PubChem CID167697505
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine
SMILESCc1ccc2c(oc3c2ccc2c4ccccc4cnc23)c1C
InChIInChI=1S/C21H15NO/c1-12-7-8-17-18-10-9-16-15-6-4-3-5-14(15)11-22-19(16)21(18)23-20(17)13(12)2/h3-11H,1-2H3
InChIKeyPMSBMUGKGMUHNC-UHFFFAOYSA-N
XLogP5.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-[1]benzofuro[3,2-c]isoquinoline
CID 157100700
1,4-dimethylphenanthridine
CID 122403892
3,4-dimethyl-[1]benzofuro[2,3-b]quinoline
CID 167697502
2-methyl-[1,3]oxazolo[5,4-c]isoquinoline
CID 11217636
14-methyl-15-(1-methylpyridin-1-ium-2-yl)-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 140827793
4-methylsulfanylphenanthridine
CID 56651512
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
14-methyl-15-(2-methylphenyl)-12-(trideuteriomethyl)-17-oxa-9-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 140871380
bis(2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene);ruthenium;hexakis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 165088824
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole
CID 170111816
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
5-bromo-3,4-dimethylxanthen-9-one
CID 59287847

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine?
The IUPAC name of 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine (CID 167697505) is 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine.
What is the SMILES notation for 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine?
The canonical SMILES for 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine is Cc1ccc2c(oc3c2ccc2c4ccccc4cnc23)c1C.
What is the InChIKey of 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine?
The InChIKey is PMSBMUGKGMUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-12-7-8-17-18-10-9-16-15-6-4-3-5-14(15)11-22-19(16)21(18)23-20(17)13(12)2/h3-11H,1-2H3.
What are the key properties of 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine?
9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine has a molecular weight of 297.36 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine is sourced from PubChem (CID 167697505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).