2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane

C69H85BClN15O7S3Si2 — CID 157416710

About 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane

2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane (PubChem CID 157416710) has the molecular formula C69H85BClN15O7S3Si2 and a molecular weight of 1435.17 g/mol. Its IUPAC name is 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane
• PubChem CID: 157416710
• Molecular Formula: C69H85BClN15O7S3Si2
• Molecular Weight: 1435.17 g/mol
• Exact Mass: 1433.52
• IUPAC Name: 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane
• SMILES: CC1(C)OB(c2cnc(N3CCOCC3)s2)OC1(C)C.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3cnc(N4CCOCC4)s3)nc21.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.c1cc2[nH]c3nc(-c4cnc(N5CCOCC5)s4)ccc3c2cn1
• InChI: InChI=1S/C23H29N5O2SSi.C17H15N5OS.C16H20ClN3OSi.C13H21BN2O3S/c1-32(2,3)13-12-30-16-28-20-6-7-24-14-18(20)17-4-5-19(26-22(17)28)21-15-25-23(31-21)27-8-10-29-11-9-27;1-2-14(15-10-19-17(24-15)22-5-7-23-8-6-22)21-16-11(1)12-9-18-4-3-13(12)20-16;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-12(2)13(3,4)19-14(18-12)10-9-15-11(20-10)16-5-7-17-8-6-16/h4-7,14-15H,8-13,16H2,1-3H3;1-4,9-10H,5-8H2,(H,20,21);4-7,10H,8-9,11H2,1-3H3;9H,5-8H2,1-4H3
• InChIKey: BOXWDFHYVKQCIO-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 215.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.17
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane?

The IUPAC name of 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane (CID 157416710) is 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane.

What is the SMILES notation for 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane?

The canonical SMILES for 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane is CC1(C)OB(c2cnc(N3CCOCC3)s2)OC1(C)C.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3cnc(N4CCOCC4)s3)nc21.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.c1cc2[nH]c3nc(-c4cnc(N5CCOCC5)s4)ccc3c2cn1.

What is the InChIKey of 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane?

The InChIKey is BOXWDFHYVKQCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2SSi.C17H15N5OS.C16H20ClN3OSi.C13H21BN2O3S/c1-32(2,3)13-12-30-16-28-20-6-7-24-14-18(20)17-4-5-19(26-22(17)28)21-15-25-23(31-21)27-8-10-29-11-9-27;1-2-14(15-10-19-17(24-15)22-5-7-23-8-6-22)21-16-11(1)12-9-18-4-3-13(12)20-16;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-12(2)13(3,4)19-14(18-12)10-9-15-11(20-10)16-5-7-17-8-6-16/h4-7,14-15H,8-13,16H2,1-3H3;1-4,9-10H,5-8H2,(H,20,21);4-7,10H,8-9,11H2,1-3H3;9H,5-8H2,1-4H3.

What are the key properties of 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane?

2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane has a molecular weight of 1435.17 g/mol, XLogP of 13.76, 16 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine;4-[5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-2-yl]morpholine;trimethyl-[2-[[11-(2-morpholin-4-yl-1,3-thiazol-5-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl]silane is sourced from PubChem (CID 157416710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).