5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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

C31H37N5 — CID 137235171

IUPAC5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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=C2/C(CC)=C3\N=C(C(C)=C3CC)/C(C)=C3\N=C(/C=C4/C=CC(=N4)/C=C(/N1)N2CC)C(C)=C3C
InChIInChI=1S/C31H37N5/c1-9-23-19(7)29-20(8)28-18(6)17(5)26(34-28)15-21-13-14-22(32-21)16-27-33-25(11-3)31(36(27)12-4)24(10-2)30(23)35-29/h13-16,33H,9-12H2,1-8H3/b21-15-,27-16-,28-20-,30-24-
InChIKeyYGXRMXBBQRZPIB-VRTZAQKDSA-N
MW479.67 g/mol
LogP7.19
Rot. Bonds4

About 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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

5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 137235171) has the molecular formula C31H37N5 and a molecular weight of 479.67 g/mol. Its IUPAC name is 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 Name5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 CID137235171
Molecular FormulaC31H37N5
Molecular Weight479.67 g/mol
Exact Mass479.30
IUPAC Name5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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=C2/C(CC)=C3\N=C(C(C)=C3CC)/C(C)=C3\N=C(/C=C4/C=CC(=N4)/C=C(/N1)N2CC)C(C)=C3C
InChIInChI=1S/C31H37N5/c1-9-23-19(7)29-20(8)28-18(6)17(5)26(34-28)15-21-13-14-22(32-21)16-27-33-25(11-3)31(36(27)12-4)24(10-2)30(23)35-29/h13-16,33H,9-12H2,1-8H3/b21-15-,27-16-,28-20-,30-24-
InChIKeyYGXRMXBBQRZPIB-VRTZAQKDSA-N
XLogP7.19
TPSA52.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 137235171) is 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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=C2/C(CC)=C3\N=C(C(C)=C3CC)/C(C)=C3\N=C(/C=C4/C=CC(=N4)/C=C(/N1)N2CC)C(C)=C3C.
What is the InChIKey of 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 YGXRMXBBQRZPIB-VRTZAQKDSA-N. The full InChI is InChI=1S/C31H37N5/c1-9-23-19(7)29-20(8)28-18(6)17(5)26(34-28)15-21-13-14-22(32-21)16-27-33-25(11-3)31(36(27)12-4)24(10-2)30(23)35-29/h13-16,33H,9-12H2,1-8H3/b21-15-,27-16-,28-20-,30-24-.
What are the key properties of 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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?
5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 479.67 g/mol, XLogP of 7.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,9,24-tetraethyl-10,12,14,15-tetramethyl-4,21,22,23,24-pentazapentacyclo[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 137235171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).