CID 165062943

C150H208Cl2N17O23Si — CID 165062943

About CID 165062943

CID 165062943 (PubChem CID 165062943) has the molecular formula C150H208Cl2N17O23Si and a molecular weight of 2716.40 g/mol.

Molecular Properties

• Compound Name: CID 165062943
• PubChem CID: 165062943
• Molecular Formula: C150H208Cl2N17O23Si
• Molecular Weight: 2716.40 g/mol
• Exact Mass: 2713.48
• IUPAC Name: —
• SMILES: CC(C)(C)OC(=O)N1CC2CCC(C1)N2.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CC1C2CCC1CN(C(=O)CC1CCN(c3ccc(CC4CCC(=O)NC4=O)cc3C)CC1)C2.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1C2CCC1CN(C(=O)OC(C)(C)C)C2.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1C2CCC1CNC2.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1C2CCC1CNC2.C[Si].Cc1cc(CC2CCC(=O)NC2=O)ccc1N1CCC(CC(=O)O)CC1.Cl.Cl
• InChI: InChI=1S/C44H56N4O6.C28H39N3O5.2C23H31N3O3.C20H26N2O4.C11H20N2O2.CH3Si.2ClH/c1-26-17-30(18-31-10-12-41(49)45-43(31)51)7-11-38(26)47-15-13-29(14-16-47)19-42(50)48-23-32-8-9-33(24-48)35(32)22-36-39(53-5)20-34(21-40(36)54-6)37-25-46(4)44(52)28(3)27(37)2;1-17-18(2)26(32)29(6)15-22(17)19-11-24(34-7)23(25(12-19)35-8)16-31-20-9-10-21(31)14-30(13-20)27(33)36-28(3,4)5;2*1-14-15(2)23(27)25(3)12-19(14)16-8-21(28-4)20(22(9-16)29-5)13-26-17-6-7-18(26)11-24-10-17;1-13-10-15(11-16-3-5-18(23)21-20(16)26)2-4-17(13)22-8-6-14(7-9-22)12-19(24)25;1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8;1-2;;/h7,11,17,20-21,25,29,31-33,35H,8-10,12-16,18-19,22-24H2,1-6H3,(H,45,49,51);11-12,15,20-21H,9-10,13-14,16H2,1-8H3;2*8-9,12,17-18,24H,6-7,10-11,13H2,1-5H3;2,4,10,14,16H,3,5-9,11-12H2,1H3,(H,24,25)(H,21,23,26);8-9,12H,4-7H2,1-3H3;1H3;2*1H
• InChIKey: MGCFHWRELFAVRK-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 423.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2716.40
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 165062943?

The IUPAC name of CID 165062943 (CID 165062943) is not available.

What is the SMILES notation for CID 165062943?

The canonical SMILES for CID 165062943 is CC(C)(C)OC(=O)N1CC2CCC(C1)N2.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CC1C2CCC1CN(C(=O)CC1CCN(c3ccc(CC4CCC(=O)NC4=O)cc3C)CC1)C2.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1C2CCC1CN(C(=O)OC(C)(C)C)C2.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1C2CCC1CNC2.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1C2CCC1CNC2.C[Si].Cc1cc(CC2CCC(=O)NC2=O)ccc1N1CCC(CC(=O)O)CC1.Cl.Cl.

What is the InChIKey of CID 165062943?

The InChIKey is MGCFHWRELFAVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N4O6.C28H39N3O5.2C23H31N3O3.C20H26N2O4.C11H20N2O2.CH3Si.2ClH/c1-26-17-30(18-31-10-12-41(49)45-43(31)51)7-11-38(26)47-15-13-29(14-16-47)19-42(50)48-23-32-8-9-33(24-48)35(32)22-36-39(53-5)20-34(21-40(36)54-6)37-25-46(4)44(52)28(3)27(37)2;1-17-18(2)26(32)29(6)15-22(17)19-11-24(34-7)23(25(12-19)35-8)16-31-20-9-10-21(31)14-30(13-20)27(33)36-28(3,4)5;2*1-14-15(2)23(27)25(3)12-19(14)16-8-21(28-4)20(22(9-16)29-5)13-26-17-6-7-18(26)11-24-10-17;1-13-10-15(11-16-3-5-18(23)21-20(16)26)2-4-17(13)22-8-6-14(7-9-22)12-19(24)25;1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8;1-2;;/h7,11,17,20-21,25,29,31-33,35H,8-10,12-16,18-19,22-24H2,1-6H3,(H,45,49,51);11-12,15,20-21H,9-10,13-14,16H2,1-8H3;2*8-9,12,17-18,24H,6-7,10-11,13H2,1-5H3;2,4,10,14,16H,3,5-9,11-12H2,1H3,(H,24,25)(H,21,23,26);8-9,12H,4-7H2,1-3H3;1H3;2*1H.

What are the key properties of CID 165062943?

CID 165062943 has a molecular weight of 2716.40 g/mol, XLogP of 20.12, 30 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for CID 165062943 is sourced from PubChem (CID 165062943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).