10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene

C31H36N4 — CID 25150081

IUPAC10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene
SMILESCCC1=C(C)/C2=C/C3=CN(C)/C(=C/C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4C)C3
InChIInChI=1S/C31H36N4/c1-8-22-18(5)26-13-20-12-21(35(7)17-20)14-27-19(6)23(9-2)29(33-27)16-31-25(11-4)24(10-3)30(34-31)15-28(22)32-26/h13-17H,8-12H2,1-7H3/b21-14+,26-13-,29-16-,30-15-
InChIKeyHLZZQLWBOHOKMY-SVUKGSTKSA-N
MW464.66 g/mol
LogP7.69
Rot. Bonds4

About 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene

10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene (PubChem CID 25150081) has the molecular formula C31H36N4 and a molecular weight of 464.66 g/mol. Its IUPAC name is 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene.

Molecular Properties

Compound Name10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene
PubChem CID25150081
Molecular FormulaC31H36N4
Molecular Weight464.66 g/mol
Exact Mass464.29
IUPAC Name10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene
SMILESCCC1=C(C)/C2=C/C3=CN(C)/C(=C/C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4C)C3
InChIInChI=1S/C31H36N4/c1-8-22-18(5)26-13-20-12-21(35(7)17-20)14-27-19(6)23(9-2)29(33-27)16-31-25(11-4)24(10-3)30(34-31)15-28(22)32-26/h13-17H,8-12H2,1-7H3/b21-14+,26-13-,29-16-,30-15-
InChIKeyHLZZQLWBOHOKMY-SVUKGSTKSA-N
XLogP7.69
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene?
The IUPAC name of 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene (CID 25150081) is 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene.
What is the SMILES notation for 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene?
The canonical SMILES for 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene is CCC1=C(C)/C2=C/C3=CN(C)/C(=C/C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4C)C3.
What is the InChIKey of 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene?
The InChIKey is HLZZQLWBOHOKMY-SVUKGSTKSA-N. The full InChI is InChI=1S/C31H36N4/c1-8-22-18(5)26-13-20-12-21(35(7)17-20)14-27-19(6)23(9-2)29(33-27)16-31-25(11-4)24(10-3)30(34-31)15-28(22)32-26/h13-17H,8-12H2,1-7H3/b21-14+,26-13-,29-16-,30-15-.
What are the key properties of 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene?
10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene has a molecular weight of 464.66 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14,15,19-tetraethyl-4,9,20-trimethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,5,7,9,11(23),12,14,16(22),17,19-undecaene is sourced from PubChem (CID 25150081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).