CID 159683624

C198H148N34O6Pt6-18 — CID 159683624

About CID 159683624

CID 159683624 (PubChem CID 159683624) has the molecular formula C198H148N34O6Pt6-18 and a molecular weight of 4270.06 g/mol.

Molecular Properties

• Compound Name: CID 159683624
• PubChem CID: 159683624
• Molecular Formula: C198H148N34O6Pt6-18
• Molecular Weight: 4270.06 g/mol
• Exact Mass: 4267.03
• IUPAC Name: —
• SMILES: CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4[CH-]N(C)c5ccccc54)ccc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4[CH-]N(C)c5ccccc54)cnc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4[CH-]N(C)c5cccnc54)ccc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4[CH-]N(C)c5cccnc54)cnc3)[c-]c1c1nc3ccccc3n21.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C35H26N5O.2C34H25N6O.C33H24N7O.2C31H24N5O.6Pt/c1-22(2)26-12-9-17-32-33(26)34-27(35-37-28-13-4-5-14-29(28)40(32)35)19-25(20-36-34)41-24-11-8-10-23(18-24)39-21-38(3)30-15-6-7-16-31(30)39;1-21(2)25-11-7-14-29-31(25)32-26(33-37-27-12-4-5-13-28(27)40(29)33)18-24(19-36-32)41-23-10-6-9-22(17-23)39-20-38(3)30-15-8-16-35-34(30)39;1-21(2)25-9-8-14-31-32(25)33-26(34-37-27-10-4-5-11-28(27)40(31)34)16-24(19-36-33)41-23-15-22(17-35-18-23)39-20-38(3)29-12-6-7-13-30(29)39;1-20(2)24-8-6-11-28-30(24)31-25(32-37-26-9-4-5-10-27(26)40(28)32)15-23(18-36-31)41-22-14-21(16-34-17-22)39-19-38(3)29-12-7-13-35-33(29)39;2*1-20(2)24-10-7-13-28-29(24)30-25(31-33-26-11-4-5-12-27(26)36(28)31)17-23(18-32-30)37-22-9-6-8-21(16-22)35-15-14-34(3)19-35;;;;;;/h4-17,20-22H,1-3H3;4-16,19-21H,1-3H3;4-14,17-21H,1-3H3;4-13,16-20H,1-3H3;2*4-15,18-20H,1-3H3;;;;;;/q6*-3
• InChIKey: BYCNQISXSAKLNZ-UHFFFAOYSA-N
• XLogP: 45.31
• TPSA: 326.96 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4270.06
LogP ≤ 5	45.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 159683624?

The IUPAC name of CID 159683624 (CID 159683624) is not available.

What is the SMILES notation for CID 159683624?

The canonical SMILES for CID 159683624 is CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4[CH-]N(C)c5ccccc54)ccc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4[CH-]N(C)c5ccccc54)cnc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4[CH-]N(C)c5cccnc54)ccc3)[c-]c1c1nc3ccccc3n21.CC(C)c1cccc2c1c1ncc(Oc3[c-]c(N4[CH-]N(C)c5cccnc54)cnc3)[c-]c1c1nc3ccccc3n21.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of CID 159683624?

The InChIKey is BYCNQISXSAKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N5O.2C34H25N6O.C33H24N7O.2C31H24N5O.6Pt/c1-22(2)26-12-9-17-32-33(26)34-27(35-37-28-13-4-5-14-29(28)40(32)35)19-25(20-36-34)41-24-11-8-10-23(18-24)39-21-38(3)30-15-6-7-16-31(30)39;1-21(2)25-11-7-14-29-31(25)32-26(33-37-27-12-4-5-13-28(27)40(29)33)18-24(19-36-32)41-23-10-6-9-22(17-23)39-20-38(3)30-15-8-16-35-34(30)39;1-21(2)25-9-8-14-31-32(25)33-26(34-37-27-10-4-5-11-28(27)40(31)34)16-24(19-36-33)41-23-15-22(17-35-18-23)39-20-38(3)29-12-6-7-13-30(29)39;1-20(2)24-8-6-11-28-30(24)31-25(32-37-26-9-4-5-10-27(26)40(28)32)15-23(18-36-31)41-22-14-21(16-34-17-22)39-19-38(3)29-12-7-13-35-33(29)39;2*1-20(2)24-10-7-13-28-29(24)30-25(31-33-26-11-4-5-12-27(26)36(28)31)17-23(18-32-30)37-22-9-6-8-21(16-22)35-15-14-34(3)19-35;;;;;;/h4-17,20-22H,1-3H3;4-16,19-21H,1-3H3;4-14,17-21H,1-3H3;4-13,16-20H,1-3H3;2*4-15,18-20H,1-3H3;;;;;;/q6*-3;;;;;;.

What are the key properties of CID 159683624?

CID 159683624 has a molecular weight of 4270.06 g/mol, XLogP of 45.31, 24 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159683624 is sourced from PubChem (CID 159683624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).