tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane

C92H158N4S2Sn2 — CID 176857334

About tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane

tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane (PubChem CID 176857334) has the molecular formula C92H158N4S2Sn2 and a molecular weight of 1621.86 g/mol. Its IUPAC name is tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane.

Molecular Properties

• Compound Name: tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane
• PubChem CID: 176857334
• Molecular Formula: C92H158N4S2Sn2
• Molecular Weight: 1621.86 g/mol
• Exact Mass: 1623.00
• IUPAC Name: tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane
• SMILES: CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc3c(cc2-c2c1cc([Sn](CCCC)(CCCC)CCCC)c1nsnc21)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c1cc([Sn](CCCC)(CCCC)CCCC)c2nsnc2c1-3
• InChI: InChI=1S/C68H104N4S2.6C4H9.2Sn/c1-5-9-13-17-21-25-29-33-37-41-49-67(50-42-38-34-30-26-22-18-14-10-6-2)57-45-47-61-65(71-73-69-61)63(57)55-54-60-56(53-59(55)67)64-58(46-48-62-66(64)72-74-70-62)68(60,51-43-39-35-31-27-23-19-15-11-7-3)52-44-40-36-32-28-24-20-16-12-8-4;6*1-3-4-2;;/h45-46,53-54H,5-44,49-52H2,1-4H3;6*1,3-4H2,2H3
• InChIKey: YLXXVISWIWDXBT-UHFFFAOYSA-N
• XLogP: 31.59
• TPSA: 51.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 64
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1621.86
LogP ≤ 5	31.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane?

The IUPAC name of tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane (CID 176857334) is tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane.

What is the SMILES notation for tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane?

The canonical SMILES for tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc3c(cc2-c2c1cc([Sn](CCCC)(CCCC)CCCC)c1nsnc21)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c1cc([Sn](CCCC)(CCCC)CCCC)c2nsnc2c1-3.

What is the InChIKey of tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane?

The InChIKey is YLXXVISWIWDXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H104N4S2.6C4H9.2Sn/c1-5-9-13-17-21-25-29-33-37-41-49-67(50-42-38-34-30-26-22-18-14-10-6-2)57-45-47-61-65(71-73-69-61)63(57)55-54-60-56(53-59(55)67)64-58(46-48-62-66(64)72-74-70-62)68(60,51-43-39-35-31-27-23-19-15-11-7-3)52-44-40-36-32-28-24-20-16-12-8-4;6*1-3-4-2;;/h45-46,53-54H,5-44,49-52H2,1-4H3;6*1,3-4H2,2H3;;.

What are the key properties of tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane?

tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane has a molecular weight of 1621.86 g/mol, XLogP of 31.59, 64 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tributyl-(13,13,26,26-tetradodecyl-23-tributylstannyl-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaen-10-yl)stannane is sourced from PubChem (CID 176857334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).