CID 163486206

C210H221Ag3Au2N15-6 — CID 163486206

About CID 163486206

CID 163486206 (PubChem CID 163486206) has the molecular formula C210H221Ag3Au2N15-6 and a molecular weight of 3672.72 g/mol.

Molecular Properties

• Compound Name: CID 163486206
• PubChem CID: 163486206
• Molecular Formula: C210H221Ag3Au2N15-6
• Molecular Weight: 3672.72 g/mol
• Exact Mass: 3667.43
• IUPAC Name: —
• SMILES: CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2ccccc21.C[C-]1N(c2c(C(C)C)cccc2C(C)C)c2cc3c(cc2N1c1c(C(C)C)cccc1C(C)C)c1cc2c(cc1c1cc4c(cc31)n(-c1c(C(C)C)cccc1C(C)C)[c-][n+]4-c1c(C(C)C)cccc1C(C)C)n(-c1c(C(C)C)cccc1C(C)C)[c-][n+]2-c1c(C(C)C)cccc1C(C)C.[Ag].[Ag].[Ag].[Au].[Au].c1ccc2c(c1)[n-]c1cc3c(cc12)[n-]c1ccccc13.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12
• InChI: InChI=1S/C94H111N6.2C31H38N2.C18H10N2.3C12H8N.3Ag.2Au/c1-52(2)65-32-26-33-66(53(3)4)89(65)95-50-97(91-69(56(9)10)36-28-37-70(91)57(11)12)85-46-79-77(44-83(85)95)78-45-84-86(98(92-71(58(13)14)38-29-39-72(92)59(15)16)51-96(84)90-67(54(5)6)34-27-35-68(90)55(7)8)47-80(78)82-49-88-87(48-81(79)82)99(93-73(60(17)18)40-30-41-74(93)61(19)20)64(25)100(88)94-75(62(21)22)42-31-43-76(94)63(23)24;2*1-20(2)24-13-11-14-25(21(3)4)30(24)32-19-33(29-18-10-9-17-28(29)32)31-26(22(5)6)15-12-16-27(31)23(7)8;1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;/h26-49,52-63H,1-25H3;2*9-18,20-23H,1-8H3;1-10H;3*1-8H;;;;;/q-1;;;-2;3*-1
• InChIKey: PPQWJEPZGBJACF-UHFFFAOYSA-N
• XLogP: 55.92
• TPSA: 112.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 30
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3672.72
LogP ≤ 5	55.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 163486206?

The IUPAC name of CID 163486206 (CID 163486206) is not available.

What is the SMILES notation for CID 163486206?

The canonical SMILES for CID 163486206 is CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2ccccc21.C[C-]1N(c2c(C(C)C)cccc2C(C)C)c2cc3c(cc2N1c1c(C(C)C)cccc1C(C)C)c1cc2c(cc1c1cc4c(cc31)n(-c1c(C(C)C)cccc1C(C)C)[c-][n+]4-c1c(C(C)C)cccc1C(C)C)n(-c1c(C(C)C)cccc1C(C)C)[c-][n+]2-c1c(C(C)C)cccc1C(C)C.[Ag].[Ag].[Ag].[Au].[Au].c1ccc2c(c1)[n-]c1cc3c(cc12)[n-]c1ccccc13.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2c(c1)[n-]c1ccccc12.

What is the InChIKey of CID 163486206?

The InChIKey is PPQWJEPZGBJACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H111N6.2C31H38N2.C18H10N2.3C12H8N.3Ag.2Au/c1-52(2)65-32-26-33-66(53(3)4)89(65)95-50-97(91-69(56(9)10)36-28-37-70(91)57(11)12)85-46-79-77(44-83(85)95)78-45-84-86(98(92-71(58(13)14)38-29-39-72(92)59(15)16)51-96(84)90-67(54(5)6)34-27-35-68(90)55(7)8)47-80(78)82-49-88-87(48-81(79)82)99(93-73(60(17)18)40-30-41-74(93)61(19)20)64(25)100(88)94-75(62(21)22)42-31-43-76(94)63(23)24;2*1-20(2)24-13-11-14-25(21(3)4)30(24)32-19-33(29-18-10-9-17-28(29)32)31-26(22(5)6)15-12-16-27(31)23(7)8;1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;;/h26-49,52-63H,1-25H3;2*9-18,20-23H,1-8H3;1-10H;3*1-8H;;;;;/q-1;;;-2;3*-1;;;;;.

What are the key properties of CID 163486206?

CID 163486206 has a molecular weight of 3672.72 g/mol, XLogP of 55.92, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163486206 is sourced from PubChem (CID 163486206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).