CID 163697809

C128H84N20Pt4 — CID 163697809

About CID 163697809

CID 163697809 (PubChem CID 163697809) has the molecular formula C128H84N20Pt4 and a molecular weight of 2682.53 g/mol.

Molecular Properties

• Compound Name: CID 163697809
• PubChem CID: 163697809
• Molecular Formula: C128H84N20Pt4
• Molecular Weight: 2682.53 g/mol
• Exact Mass: 2680.58
• IUPAC Name: —
• SMILES: Cc1cc(C)n(-c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cc1cnn(-c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.Cn1ccnc1-c1[c-]c2c(cc1)-c1cccnc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2-c2cccnc2-c2ccccc21
• InChI: InChI=1S/C33H23N5.2C32H21N5.C31H19N5.4Pt/c1-22-19-23(2)38(36-22)26-15-16-27-28-12-8-18-35-33(28)29-11-3-4-14-31(29)37(32(27)21-26)25-10-7-9-24(20-25)30-13-5-6-17-34-30;1-22-20-35-36(21-22)24-14-15-26-27-11-7-17-34-32(27)28-10-2-3-13-30(28)37(31(26)19-24)25-9-6-8-23(18-25)29-12-4-5-16-33-29;1-36-19-18-35-32(36)23-14-15-25-26-11-7-17-34-31(26)27-10-2-3-13-29(27)37(30(25)21-23)24-9-6-8-22(20-24)28-12-4-5-16-33-28;1-2-13-29-27(10-1)31-26(11-6-17-33-31)25-15-14-23(35-19-7-18-34-35)21-30(25)36(29)24-9-5-8-22(20-24)28-12-3-4-16-32-28;;;;/h3-19H,1-2H3;2-17,20-21H,1H3;2-19H,1H3;1-19H;;;;/q4*-2;4*+2
• InChIKey: KVBNHXOBBKXOKY-UHFFFAOYSA-N
• XLogP: 29.32
• TPSA: 187.36 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2682.53
LogP ≤ 5	29.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163697809?

The IUPAC name of CID 163697809 (CID 163697809) is not available.

What is the SMILES notation for CID 163697809?

The canonical SMILES for CID 163697809 is Cc1cc(C)n(-c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cc1cnn(-c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.Cn1ccnc1-c1[c-]c2c(cc1)-c1cccnc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2-c2cccnc2-c2ccccc21.

What is the InChIKey of CID 163697809?

The InChIKey is KVBNHXOBBKXOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N5.2C32H21N5.C31H19N5.4Pt/c1-22-19-23(2)38(36-22)26-15-16-27-28-12-8-18-35-33(28)29-11-3-4-14-31(29)37(32(27)21-26)25-10-7-9-24(20-25)30-13-5-6-17-34-30;1-22-20-35-36(21-22)24-14-15-26-27-11-7-17-34-32(27)28-10-2-3-13-30(28)37(31(26)19-24)25-9-6-8-23(18-25)29-12-4-5-16-33-29;1-36-19-18-35-32(36)23-14-15-25-26-11-7-17-34-31(26)27-10-2-3-13-29(27)37(30(25)21-23)24-9-6-8-22(20-24)28-12-4-5-16-33-28;1-2-13-29-27(10-1)31-26(11-6-17-33-31)25-15-14-23(35-19-7-18-34-35)21-30(25)36(29)24-9-5-8-22(20-24)28-12-3-4-16-32-28;;;;/h3-19H,1-2H3;2-17,20-21H,1H3;2-19H,1H3;1-19H;;;;/q4*-2;4*+2.

What are the key properties of CID 163697809?

CID 163697809 has a molecular weight of 2682.53 g/mol, XLogP of 29.32, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163697809 is sourced from PubChem (CID 163697809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).