CID 163536623

C272H265Ge2Ir6N13O4Si5-12 — CID 163536623

About CID 163536623

CID 163536623 (PubChem CID 163536623) has the molecular formula C272H265Ge2Ir6N13O4Si5-12 and a molecular weight of 5237.26 g/mol.

Molecular Properties

• Compound Name: CID 163536623
• PubChem CID: 163536623
• Molecular Formula: C272H265Ge2Ir6N13O4Si5-12
• Molecular Weight: 5237.26 g/mol
• Exact Mass: 5240.72
• IUPAC Name: —
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)(C)C)ccn3)[c-]ccc12.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C32H26NO.C24H16NO.2C22H24GeN.C22H21N2O.4C22H24NSi.C22H22N.C20H16NO.C20H20NSi.6Ir/c1-2-7-21(8-3-1)17-22-15-16-33-30(18-22)27-12-6-11-26-29-19-24-14-13-23-9-4-5-10-25(23)28(24)20-31(29)34-32(26)27;1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;2*1-17(18-11-7-5-8-12-18)20-15-22(19-13-9-6-10-14-19)24-16-21(20)23(2,3)4;1-14-8-9-17-16-6-5-7-18(20(16)25-21(17)24-14)19-12-15(10-11-23-19)13-22(2,3)4;4*1-17(18-11-7-5-8-12-18)20-15-21(19-13-9-6-10-14-19)23-16-22(20)24(2,3)4;1-22(2,3)20-11-7-10-19(16-20)21-15-18(12-13-23-21)14-17-8-5-4-6-9-17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;;;;;;/h4-6,9-11,13-16,18-21H,1-3,7-8,17H2;1-10,12-14,16H,15H2;2*5-13,15-17H,1-4H3;5-6,8-12H,13H2,1-4H3;4*5-13,15-17H,1-4H3;4-9,11-13,15-16H,14H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;;;;;;/q12*-1;;;;;;/i17D2;15D2;2*17D;1D3,13D2;4*17D;14D2;13D
• InChIKey: GPUHTNPQIZVDFX-PKTJFVRLSA-N
• XLogP: 67.89
• TPSA: 220.13 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 41
• Heavy Atoms: 302
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5237.26
LogP ≤ 5	67.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of CID 163536623?

The IUPAC name of CID 163536623 (CID 163536623) is not available.

What is the SMILES notation for CID 163536623?

The canonical SMILES for CID 163536623 is C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)(C)C)ccn3)[c-]ccc12.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2cc4c(ccc5ccccc54)cc23)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of CID 163536623?

The InChIKey is GPUHTNPQIZVDFX-PKTJFVRLSA-N. The full InChI is InChI=1S/C32H26NO.C24H16NO.2C22H24GeN.C22H21N2O.4C22H24NSi.C22H22N.C20H16NO.C20H20NSi.6Ir/c1-2-7-21(8-3-1)17-22-15-16-33-30(18-22)27-12-6-11-26-29-19-24-14-13-23-9-4-5-10-25(23)28(24)20-31(29)34-32(26)27;1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;2*1-17(18-11-7-5-8-12-18)20-15-22(19-13-9-6-10-14-19)24-16-21(20)23(2,3)4;1-14-8-9-17-16-6-5-7-18(20(16)25-21(17)24-14)19-12-15(10-11-23-19)13-22(2,3)4;4*1-17(18-11-7-5-8-12-18)20-15-21(19-13-9-6-10-14-19)23-16-22(20)24(2,3)4;1-22(2,3)20-11-7-10-19(16-20)21-15-18(12-13-23-21)14-17-8-5-4-6-9-17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;;;;;;/h4-6,9-11,13-16,18-21H,1-3,7-8,17H2;1-10,12-14,16H,15H2;2*5-13,15-17H,1-4H3;5-6,8-12H,13H2,1-4H3;4*5-13,15-17H,1-4H3;4-9,11-13,15-16H,14H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;;;;;;/q12*-1;;;;;;/i17D2;15D2;2*17D;1D3,13D2;4*17D;14D2;13D;;;;;;;.

What are the key properties of CID 163536623?

CID 163536623 has a molecular weight of 5237.26 g/mol, XLogP of 67.89, 41 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163536623 is sourced from PubChem (CID 163536623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).