14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

C20H17NOSe — CID 171732670

IUPAC14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESC[Se]1(C)c2ccccc2N2c3ccccc3Oc3cccc1c32
InChIInChI=1S/C20H17NOSe/c1-23(2)18-12-6-4-9-15(18)21-14-8-3-5-10-16(14)22-17-11-7-13-19(23)20(17)21/h3-13H,1-2H3
InChIKeySEHLBVZSUZUOHA-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.40
Rot. Bonds

About 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 171732670) has the molecular formula C20H17NOSe and a molecular weight of 366.32 g/mol. Its IUPAC name is 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID171732670
Molecular FormulaC20H17NOSe
Molecular Weight366.32 g/mol
Exact Mass367.05
IUPAC Name14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESC[Se]1(C)c2ccccc2N2c3ccccc3Oc3cccc1c32
InChIInChI=1S/C20H17NOSe/c1-23(2)18-12-6-4-9-15(18)21-14-8-3-5-10-16(14)22-17-11-7-13-19(23)20(17)21/h3-13H,1-2H3
InChIKeySEHLBVZSUZUOHA-UHFFFAOYSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

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Related Compounds

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2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
ethane;10-phenylphenoxazine
CID 123756019
10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
CID 154940540
13,45-dioxa-20,26,32,38-tetraza-1,7,51-triboraheptadecacyclo[29.25.1.12,6.17,21.18,12.132,52.133,37.138,46.014,19.027,57.039,44.020,62.025,61.026,63.050,59.051,60.056,58]trihexaconta-2(63),3,5,8(62),9,11,14,16,18,21(61),22,24,27(57),28,30,33,35,37(60),39,41,43,46,48,50(59),52,54,56(58)-heptacosaene
CID 169037950
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine
CID 139553095
spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
CID 164809024
11-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(2-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(3-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162167397
5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129
1-bromo-10-naphthalen-1-ylphenoxazine
CID 135279894

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 171732670) is 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is C[Se]1(C)c2ccccc2N2c3ccccc3Oc3cccc1c32.
What is the InChIKey of 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is SEHLBVZSUZUOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOSe/c1-23(2)18-12-6-4-9-15(18)21-14-8-3-5-10-16(14)22-17-11-7-13-19(23)20(17)21/h3-13H,1-2H3.
What are the key properties of 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 366.32 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 171732670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).