CID 158763389

C234H202Ir5N10O5-10 — CID 158763389

About CID 158763389

CID 158763389 (PubChem CID 158763389) has the molecular formula C234H202Ir5N10O5-10 and a molecular weight of 4215.46 g/mol.

Molecular Properties

• Compound Name: CID 158763389
• PubChem CID: 158763389
• Molecular Formula: C234H202Ir5N10O5-10
• Molecular Weight: 4215.46 g/mol
• Exact Mass: 4216.53
• IUPAC Name: —
• SMILES: Cc1c[c-]c(-c2cc(C)c(C)cn2)cc1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.Cc1c[c-]c(-c2ccc(CC(C)(C)C)cn2)cc1.Cc1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C.Cc1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C.Cc1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C.[2H]C([2H])(c1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C([2H])([2H])C(C)(C)C)C(C)(C)C.[2H]C([2H])(c1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C([2H])([2H])C(C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C35H34NO.3C27H18NO.C20H18N.C19H16N.C17H20N.C14H14N.C13H12N.5Ir/c2*1-34(2,3)19-24-18-30(36-21-25(24)20-35(4,5)6)29-13-9-12-27-28-17-16-23-15-14-22-10-7-8-11-26(22)31(23)33(28)37-32(27)29;3*1-16-14-24(28-15-17(16)2)23-9-5-8-21-22-13-12-19-11-10-18-6-3-4-7-20(18)25(19)27(22)29-26(21)23;1-14-9-10-18(20-11-15(2)16(3)13-21-20)12-19(14)17-7-5-4-6-8-17;1-14-8-11-19(20-13-14)17-10-9-15(2)18(12-17)16-6-4-3-5-7-16;1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h2*7-12,14-18,21H,19-20H2,1-6H3;3*3-8,10-15H,1-2H3;4-9,11-13H,1-3H3;3-9,11-13H,1-2H3;5-8,10,12H,11H2,1-4H3;4-6,8-9H,1-3H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i2*19D2,20D2;;;;1D3,3D3;1D3,2D3
• InChIKey: VKVRBGHPTJYJAX-NVYFRDSCSA-N
• XLogP: 63.02
• TPSA: 194.60 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4215.46
LogP ≤ 5	63.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of CID 158763389?

The IUPAC name of CID 158763389 (CID 158763389) is not available.

What is the SMILES notation for CID 158763389?

The canonical SMILES for CID 158763389 is Cc1c[c-]c(-c2cc(C)c(C)cn2)cc1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.Cc1c[c-]c(-c2ccc(CC(C)(C)C)cn2)cc1.Cc1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C.Cc1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C.Cc1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C.[2H]C([2H])(c1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C([2H])([2H])C(C)(C)C)C(C)(C)C.[2H]C([2H])(c1cnc(-c2[c-]ccc3c2oc2c3ccc3ccc4ccccc4c32)cc1C([2H])([2H])C(C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of CID 158763389?

The InChIKey is VKVRBGHPTJYJAX-NVYFRDSCSA-N. The full InChI is InChI=1S/2C35H34NO.3C27H18NO.C20H18N.C19H16N.C17H20N.C14H14N.C13H12N.5Ir/c2*1-34(2,3)19-24-18-30(36-21-25(24)20-35(4,5)6)29-13-9-12-27-28-17-16-23-15-14-22-10-7-8-11-26(22)31(23)33(28)37-32(27)29;3*1-16-14-24(28-15-17(16)2)23-9-5-8-21-22-13-12-19-11-10-18-6-3-4-7-20(18)25(19)27(22)29-26(21)23;1-14-9-10-18(20-11-15(2)16(3)13-21-20)12-19(14)17-7-5-4-6-8-17;1-14-8-11-19(20-13-14)17-10-9-15(2)18(12-17)16-6-4-3-5-7-16;1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h2*7-12,14-18,21H,19-20H2,1-6H3;3*3-8,10-15H,1-2H3;4-9,11-13H,1-3H3;3-9,11-13H,1-2H3;5-8,10,12H,11H2,1-4H3;4-6,8-9H,1-3H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i2*19D2,20D2;;;;1D3,3D3;1D3,2D3;;;;;;;;.

What are the key properties of CID 158763389?

CID 158763389 has a molecular weight of 4215.46 g/mol, XLogP of 63.02, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158763389 is sourced from PubChem (CID 158763389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).