CID 163560290

C160H107N25Pt5-6 — CID 163560290

About CID 163560290

CID 163560290 (PubChem CID 163560290) has the molecular formula C160H107N25Pt5-6 and a molecular weight of 3355.18 g/mol.

Molecular Properties

• Compound Name: CID 163560290
• PubChem CID: 163560290
• Molecular Formula: C160H107N25Pt5-6
• Molecular Weight: 3355.18 g/mol
• Exact Mass: 3352.74
• IUPAC Name: —
• SMILES: CN1C=CN(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1C=CN(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.Cc1cnn(-c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ncccc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ncccc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt]
• InChI: InChI=1S/C32H21N5.2C32H22N5.2C32H21N5.5Pt/c1-22-20-35-36(21-22)24-14-15-28-31(19-24)37(25-9-6-8-23(18-25)29-12-4-5-16-33-29)30-13-3-2-10-26(30)27-11-7-17-34-32(27)28;2*1-35-18-19-36(22-35)24-14-15-28-31(21-24)37(25-9-6-8-23(20-25)29-12-4-5-16-33-29)30-13-3-2-10-26(30)27-11-7-17-34-32(27)28;2*1-36-19-18-35-32(36)23-14-15-27-30(21-23)37(24-9-6-8-22(20-24)28-12-4-5-16-33-28)29-13-3-2-10-25(29)26-11-7-17-34-31(26)27;;;;;/h2-17,20-21H,1H3;2*2-19,22H,1H3;2*2-19H,1H3;;;;;/q-2;2*-3;2*-2;;;3*+2
• InChIKey: MILXXJBMIHJLGQ-UHFFFAOYSA-N
• XLogP: 36.27
• TPSA: 211.52 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3355.18
LogP ≤ 5	36.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163560290?

The IUPAC name of CID 163560290 (CID 163560290) is not available.

What is the SMILES notation for CID 163560290?

The canonical SMILES for CID 163560290 is CN1C=CN(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1C=CN(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.Cc1cnn(-c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ncccc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ncccc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].

What is the InChIKey of CID 163560290?

The InChIKey is MILXXJBMIHJLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N5.2C32H22N5.2C32H21N5.5Pt/c1-22-20-35-36(21-22)24-14-15-28-31(19-24)37(25-9-6-8-23(18-25)29-12-4-5-16-33-29)30-13-3-2-10-26(30)27-11-7-17-34-32(27)28;2*1-35-18-19-36(22-35)24-14-15-28-31(21-24)37(25-9-6-8-23(20-25)29-12-4-5-16-33-29)30-13-3-2-10-26(30)27-11-7-17-34-32(27)28;2*1-36-19-18-35-32(36)23-14-15-27-30(21-23)37(24-9-6-8-22(20-24)28-12-4-5-16-33-28)29-13-3-2-10-25(29)26-11-7-17-34-31(26)27;;;;;/h2-17,20-21H,1H3;2*2-19,22H,1H3;2*2-19H,1H3;;;;;/q-2;2*-3;2*-2;;;3*+2.

What are the key properties of CID 163560290?

CID 163560290 has a molecular weight of 3355.18 g/mol, XLogP of 36.27, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163560290 is sourced from PubChem (CID 163560290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).