CID 158261732

C186H137N18O2PPt6 — CID 158261732

About CID 158261732

CID 158261732 (PubChem CID 158261732) has the molecular formula C186H137N18O2PPt6 and a molecular weight of 3857.71 g/mol.

Molecular Properties

• Compound Name: CID 158261732
• PubChem CID: 158261732
• Molecular Formula: C186H137N18O2PPt6
• Molecular Weight: 3857.71 g/mol
• Exact Mass: 3854.88
• IUPAC Name: —
• SMILES: CC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc(C(C)(C)C)c1.Cc1cc(C)c(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)c(C)c1.[H]/P=N/c1ccc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccc(C2c3ccccc3-c3ccccc32)cc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[c-]1c2cccc1-c1cccc(n1)Oc1cccc(n1)-c1[c-]c(ccc1)O2
• InChI: InChI=1S/C41H27N3.C36H35N3.C31H25N3.C28H19N4P.C28H19N3.C22H12N2O2.6Pt/c1-3-17-37-35(15-1)36-16-2-4-18-38(36)41(37)29-21-23-32(24-22-29)44(33-13-9-11-30(27-33)39-19-5-7-25-42-39)34-14-10-12-31(28-34)40-20-6-8-26-43-40;1-35(2,3)28-23-29(36(4,5)6)25-32(24-28)39(30-15-11-13-26(21-30)33-17-7-9-19-37-33)31-16-12-14-27(22-31)34-18-8-10-20-38-34;1-22-18-23(2)31(24(3)19-22)34(27-12-8-10-25(20-27)29-14-4-6-16-32-29)28-13-9-11-26(21-28)30-15-5-7-17-33-30;33-31-23-13-15-24(16-14-23)32(25-9-5-7-21(19-25)27-11-1-3-17-29-27)26-10-6-8-22(20-26)28-12-2-4-18-30-28;1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-5-15-13-17(7-1)25-18-8-2-6-16(14-18)20-10-4-12-22(24-20)26-21-11-3-9-19(15)23-21;;;;;;/h1-26,41H;7-20,23-25H,1-6H3;4-19H,1-3H3;1-18,33H;1-19H;1-12H;;;;;;/q6*-2;6*+2
• InChIKey: MEWLJUFXFYMCCX-UHFFFAOYSA-N
• XLogP: 47.34
• TPSA: 201.70 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3857.71
LogP ≤ 5	47.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158261732?

The IUPAC name of CID 158261732 (CID 158261732) is not available.

What is the SMILES notation for CID 158261732?

The canonical SMILES for CID 158261732 is CC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc(C(C)(C)C)c1.Cc1cc(C)c(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)c(C)c1.[H]/P=N/c1ccc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccc(C2c3ccccc3-c3ccccc32)cc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[c-]1c2cccc1-c1cccc(n1)Oc1cccc(n1)-c1[c-]c(ccc1)O2.

What is the InChIKey of CID 158261732?

The InChIKey is MEWLJUFXFYMCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3.C36H35N3.C31H25N3.C28H19N4P.C28H19N3.C22H12N2O2.6Pt/c1-3-17-37-35(15-1)36-16-2-4-18-38(36)41(37)29-21-23-32(24-22-29)44(33-13-9-11-30(27-33)39-19-5-7-25-42-39)34-14-10-12-31(28-34)40-20-6-8-26-43-40;1-35(2,3)28-23-29(36(4,5)6)25-32(24-28)39(30-15-11-13-26(21-30)33-17-7-9-19-37-33)31-16-12-14-27(22-31)34-18-8-10-20-38-34;1-22-18-23(2)31(24(3)19-22)34(27-12-8-10-25(20-27)29-14-4-6-16-32-29)28-13-9-11-26(21-28)30-15-5-7-17-33-30;33-31-23-13-15-24(16-14-23)32(25-9-5-7-21(19-25)27-11-1-3-17-29-27)26-10-6-8-22(20-26)28-12-2-4-18-30-28;1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-5-15-13-17(7-1)25-18-8-2-6-16(14-18)20-10-4-12-22(24-20)26-21-11-3-9-19(15)23-21;;;;;;/h1-26,41H;7-20,23-25H,1-6H3;4-19H,1-3H3;1-18,33H;1-19H;1-12H;;;;;;/q6*-2;6*+2.

What are the key properties of CID 158261732?

CID 158261732 has a molecular weight of 3857.71 g/mol, XLogP of 47.34, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158261732 is sourced from PubChem (CID 158261732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).