5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene

C46H45N5 — CID 136882036

About 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene

5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene (PubChem CID 136882036) has the molecular formula C46H45N5 and a molecular weight of 667.90 g/mol. Its IUPAC name is 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene.

Molecular Properties

• Compound Name: 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene
• PubChem CID: 136882036
• Molecular Formula: C46H45N5
• Molecular Weight: 667.90 g/mol
• Exact Mass: 667.37
• IUPAC Name: 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene
• SMILES: CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(c(C)c5CC)c5[nH]c(cc1n2)c(CC)c5C)C(CC)=C4C)c1c3-c2cccc3cccc-1c23
• InChI: InChI=1S/C46H45N5/c1-9-28-23(5)34-19-40-43-32-17-13-15-27-16-14-18-33(42(27)32)44(43)41(49-40)20-35-24(6)29(10-2)37(48-35)22-39-31(12-4)26(8)46(51-39)45-25(7)30(11-3)38(50-45)21-36(28)47-34/h13-22,49-51H,9-12H2,1-8H3/b34-19-,35-20-,36-21+,37-22+,38-21+,39-22+,40-19-,41-20-,46-45-
• InChIKey: VECSIBVEGBRNEM-IEKGHABWSA-N
• XLogP: 12.58
• TPSA: 73.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.90
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene?

The IUPAC name of 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene (CID 136882036) is 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene.

What is the SMILES notation for 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene?

The canonical SMILES for 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene is CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(c(C)c5CC)c5[nH]c(cc1n2)c(CC)c5C)C(CC)=C4C)c1c3-c2cccc3cccc-1c23.

What is the InChIKey of 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene?

The InChIKey is VECSIBVEGBRNEM-IEKGHABWSA-N. The full InChI is InChI=1S/C46H45N5/c1-9-28-23(5)34-19-40-43-32-17-13-15-27-16-14-18-33(42(27)32)44(43)41(49-40)20-35-24(6)29(10-2)37(48-35)22-39-31(12-4)26(8)46(51-39)45-25(7)30(11-3)38(50-45)21-36(28)47-34/h13-22,49-51H,9-12H2,1-8H3/b34-19-,35-20-,36-21+,37-22+,38-21+,39-22+,40-19-,41-20-,46-45-.

What are the key properties of 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene?

5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene has a molecular weight of 667.90 g/mol, XLogP of 12.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene is sourced from PubChem (CID 136882036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).