16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene

C24H17NSe — CID 164814707

IUPAC16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
SMILESCC1(C)c2c(ncc3ccccc23)-c2cccc3[se]c4cccc1c4c23
InChIInChI=1S/C24H17NSe/c1-24(2)17-10-6-12-19-21(17)20-16(9-5-11-18(20)26-19)23-22(24)15-8-4-3-7-14(15)13-25-23/h3-13H,1-2H3
InChIKeyIBDKRSZJOVBLES-UHFFFAOYSA-N
MW398.37 g/mol
LogP5.90
Rot. Bonds

About 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene

16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene (PubChem CID 164814707) has the molecular formula C24H17NSe and a molecular weight of 398.37 g/mol. Its IUPAC name is 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene.

Molecular Properties

Compound Name16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
PubChem CID164814707
Molecular FormulaC24H17NSe
Molecular Weight398.37 g/mol
Exact Mass399.05
IUPAC Name16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
SMILESCC1(C)c2c(ncc3ccccc23)-c2cccc3[se]c4cccc1c4c23
InChIInChI=1S/C24H17NSe/c1-24(2)17-10-6-12-19-21(17)20-16(9-5-11-18(20)26-19)23-22(24)15-8-4-3-7-14(15)13-25-23/h3-13H,1-2H3
InChIKeyIBDKRSZJOVBLES-UHFFFAOYSA-N
XLogP5.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.37
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene with MolForge

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Related Compounds

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CID 164814946
3,12,12-trimethyl-21-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
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CID 164748916
12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164748559
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8,8-dimethylhexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-1(25),2,4,6,9,11,13,15,17,19,21,23-dodecaene
CID 123897654
2,20-ditert-butyl-16,16-dimethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
CID 164815109
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CID 164814380
12,16,16-trimethyl-20-propan-2-yl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaene
CID 164815447

Frequently Asked Questions

What is the IUPAC name of 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene?
The IUPAC name of 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene (CID 164814707) is 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene.
What is the SMILES notation for 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene?
The canonical SMILES for 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene is CC1(C)c2c(ncc3ccccc23)-c2cccc3[se]c4cccc1c4c23.
What is the InChIKey of 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene?
The InChIKey is IBDKRSZJOVBLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NSe/c1-24(2)17-10-6-12-19-21(17)20-16(9-5-11-18(20)26-19)23-22(24)15-8-4-3-7-14(15)13-25-23/h3-13H,1-2H3.
What are the key properties of 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene?
16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene has a molecular weight of 398.37 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene is sourced from PubChem (CID 164814707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).