6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene

C18H21NSe — CID 176826453

IUPAC6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene
SMILESCC1(C)CCN2c3[se]ccc3C(C)(C)c3cccc1c32
InChIInChI=1S/C18H21NSe/c1-17(2)9-10-19-15-12(17)6-5-7-13(15)18(3,4)14-8-11-20-16(14)19/h5-8,11H,9-10H2,1-4H3
InChIKeyYKRSXFCXDGNSHO-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.20
Rot. Bonds

About 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene

6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene (PubChem CID 176826453) has the molecular formula C18H21NSe and a molecular weight of 330.33 g/mol. Its IUPAC name is 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene.

Molecular Properties

Compound Name6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene
PubChem CID176826453
Molecular FormulaC18H21NSe
Molecular Weight330.33 g/mol
Exact Mass331.08
IUPAC Name6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene
SMILESCC1(C)CCN2c3[se]ccc3C(C)(C)c3cccc1c32
InChIInChI=1S/C18H21NSe/c1-17(2)9-10-19-15-12(17)6-5-7-13(15)18(3,4)14-8-11-20-16(14)19/h5-8,11H,9-10H2,1-4H3
InChIKeyYKRSXFCXDGNSHO-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene with MolForge

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Related Compounds

1,3-dimethyl-5-[(6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaen-12-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 168801088
4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 86712750
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
4,4-dimethyl-9H-selenopheno[2,3-b]quinoline
CID 139035352
5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90295974
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
1-[3-(2-carboxypropan-2-ylamino)phenyl]-4,4-dimethyl-2,3-dihydroquinoline-8-carboxylic acid
CID 123341259
5,8,8,14,14,22,22-heptamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 118518030
2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol
CID 164816568
1-[5-[2-[7-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-4,4-dimethyl-2,3-dihydroquinoline
CID 91209856
4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde
CID 11334384
5,11-diiodo-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90285741

Frequently Asked Questions

What is the IUPAC name of 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene?
The IUPAC name of 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene (CID 176826453) is 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene.
What is the SMILES notation for 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene?
The canonical SMILES for 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene is CC1(C)CCN2c3[se]ccc3C(C)(C)c3cccc1c32.
What is the InChIKey of 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene?
The InChIKey is YKRSXFCXDGNSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NSe/c1-17(2)9-10-19-15-12(17)6-5-7-13(15)18(3,4)14-8-11-20-16(14)19/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene?
6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene has a molecular weight of 330.33 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,15,15-tetramethyl-11-selena-9-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14),12-pentaene is sourced from PubChem (CID 176826453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).