CID 163660608

C188H201Ge4Ir4N13O4-8 — CID 163660608

About CID 163660608

CID 163660608 (PubChem CID 163660608) has the molecular formula C188H201Ge4Ir4N13O4-8 and a molecular weight of 3781.16 g/mol.

Molecular Properties

• Compound Name: CID 163660608
• PubChem CID: 163660608
• Molecular Formula: C188H201Ge4Ir4N13O4-8
• Molecular Weight: 3781.16 g/mol
• Exact Mass: 3787.23
• IUPAC Name: —
• SMILES: [2H]C(C)(c1ccnc(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)c1)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(-c4c(C)cccc4C)ccc23)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)c1)C1CCCCC1.[2H]C([2H])(c1ccnc(-c2[c-]ncc3c2oc2nc(-c4ccccc4)ccc23)c1)C1CCCC1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C29H25N2O.C29H27N2O.C27H22N3O.C27H23N2O.4C19H26GeN.4Ir/c1-3-8-20(9-4-1)18-21-16-17-30-27(19-21)25-13-7-12-23-24-14-15-26(22-10-5-2-6-11-22)31-29(24)32-28(23)25;1-18-8-6-9-19(2)26(18)24-13-12-22-21-10-7-11-23(27(21)32-28(22)31-24)25-16-20(14-15-30-25)17-29(3,4)5;1-2-8-20(9-3-1)24-11-10-21-22-16-28-17-23(26(22)31-27(21)30-24)25-15-19(12-13-29-25)14-18-6-4-5-7-18;1-17(2)18(3)20-14-15-28-25(16-20)23-11-7-10-21-22-12-13-24(19-8-5-4-6-9-19)29-27(22)30-26(21)23;4*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;;;/h2,5-7,10-12,14-17,19-20H,1,3-4,8-9,18H2;6-10,12-16H,17H2,1-5H3;1-3,8-13,15-16,18H,4-7,14H2;4-10,12-18H,1-3H3;4*7-10,12,14H,13H2,1-6H3;;;;/q8*-1;;;;/i18D2;17D2;14D2;18D;4*13D2
• InChIKey: RPIPVSGMBLOHFB-GKOZTQFVSA-N
• XLogP: 47.98
• TPSA: 220.13 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3781.16
LogP ≤ 5	47.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163660608?

The IUPAC name of CID 163660608 (CID 163660608) is not available.

What is the SMILES notation for CID 163660608?

The canonical SMILES for CID 163660608 is [2H]C(C)(c1ccnc(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)c1)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(-c4c(C)cccc4C)ccc23)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)c1)C1CCCCC1.[2H]C([2H])(c1ccnc(-c2[c-]ncc3c2oc2nc(-c4ccccc4)ccc23)c1)C1CCCC1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of CID 163660608?

The InChIKey is RPIPVSGMBLOHFB-GKOZTQFVSA-N. The full InChI is InChI=1S/C29H25N2O.C29H27N2O.C27H22N3O.C27H23N2O.4C19H26GeN.4Ir/c1-3-8-20(9-4-1)18-21-16-17-30-27(19-21)25-13-7-12-23-24-14-15-26(22-10-5-2-6-11-22)31-29(24)32-28(23)25;1-18-8-6-9-19(2)26(18)24-13-12-22-21-10-7-11-23(27(21)32-28(22)31-24)25-16-20(14-15-30-25)17-29(3,4)5;1-2-8-20(9-3-1)24-11-10-21-22-16-28-17-23(26(22)31-27(21)30-24)25-15-19(12-13-29-25)14-18-6-4-5-7-18;1-17(2)18(3)20-14-15-28-25(16-20)23-11-7-10-21-22-12-13-24(19-8-5-4-6-9-19)29-27(22)30-26(21)23;4*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;;;/h2,5-7,10-12,14-17,19-20H,1,3-4,8-9,18H2;6-10,12-16H,17H2,1-5H3;1-3,8-13,15-16,18H,4-7,14H2;4-10,12-18H,1-3H3;4*7-10,12,14H,13H2,1-6H3;;;;/q8*-1;;;;/i18D2;17D2;14D2;18D;4*13D2;;;;.

What are the key properties of CID 163660608?

CID 163660608 has a molecular weight of 3781.16 g/mol, XLogP of 47.98, 27 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163660608 is sourced from PubChem (CID 163660608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).