17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane

C104H60N16Si — CID 158778396

About 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane

17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane (PubChem CID 158778396) has the molecular formula C104H60N16Si and a molecular weight of 1561.82 g/mol. Its IUPAC name is 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane.

Molecular Properties

• Compound Name: 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane
• PubChem CID: 158778396
• Molecular Formula: C104H60N16Si
• Molecular Weight: 1561.82 g/mol
• Exact Mass: 1560.50
• IUPAC Name: 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane
• SMILES: Cc1cc2c3c(c1)n1c4cc5ccccc5cc4nc1n3c1nc3cc4ccccc4cc3n21.N#Cc1cc2c3c(c1)n1c4cc5ccccc5cc4nc1n3c1nc3cc4ccccc4cc3n21.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3c4c(c2)n2c5cc6ccccc6cc5nc2n4c2nc4cc5ccccc5cc4n32)cc1
• InChI: InChI=1S/C46H29N5Si.C29H14N6.C29H17N5/c1-4-18-34(19-5-1)52(35-20-6-2-7-21-35,36-22-8-3-9-23-36)37-28-42-44-43(29-37)50-41-27-33-17-13-11-15-31(33)25-39(41)48-46(50)51(44)45-47-38-24-30-14-10-12-16-32(30)26-40(38)49(42)45;30-15-16-9-25-27-26(10-16)34-24-14-20-8-4-2-6-18(20)12-22(24)32-29(34)35(27)28-31-21-11-17-5-1-3-7-19(17)13-23(21)33(25)28;1-16-10-25-27-26(11-16)33-24-15-20-9-5-3-7-18(20)13-22(24)31-29(33)34(27)28-30-21-12-17-6-2-4-8-19(17)14-23(21)32(25)28/h1-29H;1-14H;2-15H,1H3
• InChIKey: IQTMCQPDSGUNDV-UHFFFAOYSA-N
• XLogP: 20.87
• TPSA: 140.82 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.82
LogP ≤ 5	20.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane?

The IUPAC name of 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane (CID 158778396) is 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane.

What is the SMILES notation for 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane?

The canonical SMILES for 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane is Cc1cc2c3c(c1)n1c4cc5ccccc5cc4nc1n3c1nc3cc4ccccc4cc3n21.N#Cc1cc2c3c(c1)n1c4cc5ccccc5cc4nc1n3c1nc3cc4ccccc4cc3n21.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3c4c(c2)n2c5cc6ccccc6cc5nc2n4c2nc4cc5ccccc5cc4n32)cc1.

What is the InChIKey of 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane?

The InChIKey is IQTMCQPDSGUNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5Si.C29H14N6.C29H17N5/c1-4-18-34(19-5-1)52(35-20-6-2-7-21-35,36-22-8-3-9-23-36)37-28-42-44-43(29-37)50-41-27-33-17-13-11-15-31(33)25-39(41)48-46(50)51(44)45-47-38-24-30-14-10-12-16-32(30)26-40(38)49(42)45;30-15-16-9-25-27-26(10-16)34-24-14-20-8-4-2-6-18(20)12-22(24)32-29(34)35(27)28-31-21-11-17-5-1-3-7-19(17)13-23(21)33(25)28;1-16-10-25-27-26(11-16)33-24-15-20-9-5-3-7-18(20)13-22(24)31-29(33)34(27)28-30-21-12-17-6-2-4-8-19(17)14-23(21)32(25)28/h1-29H;1-14H;2-15H,1H3.

What are the key properties of 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane?

17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane has a molecular weight of 1561.82 g/mol, XLogP of 20.87, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 17-methyl-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene-17-carbonitrile;1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4,6,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaen-17-yl(triphenyl)silane is sourced from PubChem (CID 158778396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).