4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene

C32H28N2Se — CID 11318351

IUPAC4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene
SMILESCCC1=C(C)C2=N/C1=C\c1cc(c3cccccc1-3)/C=C1\N=C(/C=c3/cc/c([se]3)=C/2)C(C)=C1CC
InChIInChI=1S/C32H28N2Se/c1-5-25-19(3)29-17-23-12-13-24(35-23)18-30-20(4)26(6-2)32(34-30)16-22-14-21(15-31(25)33-29)27-10-8-7-9-11-28(22)27/h7-18H,5-6H2,1-4H3/b23-17-,24-18-,31-15-,32-16-
InChIKeyDUTWBSUPCYOXMV-UXZGBKTHSA-N
MW519.55 g/mol
LogP6.17
Rot. Bonds2

About 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene

4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene (PubChem CID 11318351) has the molecular formula C32H28N2Se and a molecular weight of 519.55 g/mol. Its IUPAC name is 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene.

Molecular Properties

Compound Name4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene
PubChem CID11318351
Molecular FormulaC32H28N2Se
Molecular Weight519.55 g/mol
Exact Mass520.14
IUPAC Name4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene
SMILESCCC1=C(C)C2=N/C1=C\c1cc(c3cccccc1-3)/C=C1\N=C(/C=c3/cc/c([se]3)=C/2)C(C)=C1CC
InChIInChI=1S/C32H28N2Se/c1-5-25-19(3)29-17-23-12-13-24(35-23)18-30-20(4)26(6-2)32(34-30)16-22-14-21(15-31(25)33-29)27-10-8-7-9-11-28(22)27/h7-18H,5-6H2,1-4H3/b23-17-,24-18-,31-15-,32-16-
InChIKeyDUTWBSUPCYOXMV-UXZGBKTHSA-N
XLogP6.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.55
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene with MolForge

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Related Compounds

4,15-diethyl-5,14,20-trimethyl-24-thia-23,25-diazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),2,4,6(25),7,9,11,13(23),14,16,18,20-dodecaene-19,21-diol
CID 135537706
4,9,10,15-tetraethyl-5,14,20-trimethyl-24-thia-23,25-diazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),2,4,6(25),7,9,11,13(23),14,16,18,20-dodecaene-19,21-diol
CID 136777569
5,9,10,14-tetraethyl-4,15-dimethyl-25,25-di(propan-2-yloxy)-26,27,28-triazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16(26),17,19,21,23-tridecaene
CID 10886634
25,25-diethoxy-5,14-diethyl-4,15-dimethyl-9,10-diphenyl-26,27,28-triazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27),12,14,16(26),17,19,21,23-tridecaene
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3-ethylanthracene-1,2-dione
CID 19425075
11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene
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4,9,14-triethyl-5,10,15-trimethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21,23-tridecaene
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Frequently Asked Questions

What is the IUPAC name of 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene?
The IUPAC name of 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene (CID 11318351) is 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene.
What is the SMILES notation for 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene?
The canonical SMILES for 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene is CCC1=C(C)C2=N/C1=C\c1cc(c3cccccc1-3)/C=C1\N=C(/C=c3/cc/c([se]3)=C/2)C(C)=C1CC.
What is the InChIKey of 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene?
The InChIKey is DUTWBSUPCYOXMV-UXZGBKTHSA-N. The full InChI is InChI=1S/C32H28N2Se/c1-5-25-19(3)29-17-23-12-13-24(35-23)18-30-20(4)26(6-2)32(34-30)16-22-14-21(15-31(25)33-29)27-10-8-7-9-11-28(22)27/h7-18H,5-6H2,1-4H3/b23-17-,24-18-,31-15-,32-16-.
What are the key properties of 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene?
4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene has a molecular weight of 519.55 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene is sourced from PubChem (CID 11318351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).