1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one

C63H79N3OSi2 — CID 176762959

About 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one

1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one (PubChem CID 176762959) has the molecular formula C63H79N3OSi2 and a molecular weight of 950.52 g/mol. Its IUPAC name is 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one.

Molecular Properties

• Compound Name: 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one
• PubChem CID: 176762959
• Molecular Formula: C63H79N3OSi2
• Molecular Weight: 950.52 g/mol
• Exact Mass: 949.58
• IUPAC Name: 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one
• SMILES: CC(C)[Si](c1cc2c3cc4c(cc3n3c5cc6c7cc([Si](C(C)C)(C(C)C)C(C)C)cc8c9c%10c(ncc9n(c6cc5c(c1)c23)c78)C(C)(C)CC%10(C)C)C(=O)C1(C)CCC4(C)CC1)(C(C)C)C(C)C
• InChI: InChI=1S/C63H79N3OSi2/c1-33(2)68(34(3)4,35(5)6)39-23-44-41-27-49-47(59(67)63(18)21-19-62(49,17)20-22-63)30-52(41)65-50-28-43-46-25-40(69(36(7)8,37(9)10)38(11)12)26-48-54-53(31-64-58-55(54)60(13,14)32-61(58,15)16)66(57(46)48)51(43)29-42(50)45(24-39)56(44)65/h23-31,33-38H,19-22,32H2,1-18H3
• InChIKey: OQFATIGXUBRFFK-UHFFFAOYSA-N
• XLogP: 17.15
• TPSA: 38.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.52
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one?

The IUPAC name of 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one (CID 176762959) is 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one.

What is the SMILES notation for 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one?

The canonical SMILES for 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one is CC(C)[Si](c1cc2c3cc4c(cc3n3c5cc6c7cc([Si](C(C)C)(C(C)C)C(C)C)cc8c9c%10c(ncc9n(c6cc5c(c1)c23)c78)C(C)(C)CC%10(C)C)C(=O)C1(C)CCC4(C)CC1)(C(C)C)C(C)C.

What is the InChIKey of 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one?

The InChIKey is OQFATIGXUBRFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H79N3OSi2/c1-33(2)68(34(3)4,35(5)6)39-23-44-41-27-49-47(59(67)63(18)21-19-62(49,17)20-22-63)30-52(41)65-50-28-43-46-25-40(69(36(7)8,37(9)10)38(11)12)26-48-54-53(31-64-58-55(54)60(13,14)32-61(58,15)16)66(57(46)48)51(43)29-42(50)45(24-39)56(44)65/h23-31,33-38H,19-22,32H2,1-18H3.

What are the key properties of 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one?

1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one has a molecular weight of 950.52 g/mol, XLogP of 17.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one is sourced from PubChem (CID 176762959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).