19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione

C29H32N6O2 — CID 10206988

IUPAC19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione
SMILESCCN1CCCCCn2cc(c3cccnc32)C2=C(C(=O)NC2=O)c2cn(c3ncccc23)CCCC1
InChIInChI=1S/C29H32N6O2/c1-2-33-14-4-3-5-16-34-18-22(20-10-8-12-30-26(20)34)24-25(29(37)32-28(24)36)23-19-35(17-7-6-15-33)27-21(23)11-9-13-31-27/h8-13,18-19H,2-7,14-17H2,1H3,(H,32,36,37)
InChIKeyFIHYVNNNXDBPSY-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.24
Rot. Bonds1

About 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione

19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione (PubChem CID 10206988) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione.

Molecular Properties

Compound Name19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione
PubChem CID10206988
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione
SMILESCCN1CCCCCn2cc(c3cccnc32)C2=C(C(=O)NC2=O)c2cn(c3ncccc23)CCCC1
InChIInChI=1S/C29H32N6O2/c1-2-33-14-4-3-5-16-34-18-22(20-10-8-12-30-26(20)34)24-25(29(37)32-28(24)36)23-19-35(17-7-6-15-33)27-21(23)11-9-13-31-27/h8-13,18-19H,2-7,14-17H2,1H3,(H,32,36,37)
InChIKeyFIHYVNNNXDBPSY-UHFFFAOYSA-N
XLogP4.24
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione?
The IUPAC name of 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione (CID 10206988) is 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione.
What is the SMILES notation for 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione?
The canonical SMILES for 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione is CCN1CCCCCn2cc(c3cccnc32)C2=C(C(=O)NC2=O)c2cn(c3ncccc23)CCCC1.
What is the InChIKey of 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione?
The InChIKey is FIHYVNNNXDBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-2-33-14-4-3-5-16-34-18-22(20-10-8-12-30-26(20)34)24-25(29(37)32-28(24)36)23-19-35(17-7-6-15-33)27-21(23)11-9-13-31-27/h8-13,18-19H,2-7,14-17H2,1H3,(H,32,36,37).
What are the key properties of 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione?
19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione has a molecular weight of 496.62 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 19-ethyl-4,12,14,19,25,27-hexazahexacyclo[23.6.1.17,14.02,6.08,13.026,31]tritriaconta-1(32),2(6),7(33),8(13),9,11,26(31),27,29-nonaene-3,5-dione is sourced from PubChem (CID 10206988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).