CID 157341604

C145H97N13O4Pt5S-10 — CID 157341604

About CID 157341604

CID 157341604 (PubChem CID 157341604) has the molecular formula C145H97N13O4Pt5S-10 and a molecular weight of 3092.91 g/mol.

Molecular Properties

• Compound Name: CID 157341604
• PubChem CID: 157341604
• Molecular Formula: C145H97N13O4Pt5S-10
• Molecular Weight: 3092.91 g/mol
• Exact Mass: 3090.58
• IUPAC Name: —
• SMILES: O=C(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(C2C=CC=C[N-]2)ccc1.Oc1ccsc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Pt+2].[Pt].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)cc(-c2ccccc2)cc1N(c1[c-]c(C2C=CC=C[N-]2)cc(-c2ccccc2)c1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(C2C=CC=C[N-]2)ccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1c2cccc1-c1[c-]c(ccc1)Oc1cccc(n1)-c1cccc(n1)O2
• InChI: InChI=1S/C40H29N4.C40H28N3.C23H15N2O.C22H12N2O2.C20H13N2OS.5Pt/c1-3-15-33(16-4-1)43(34-17-5-2-6-18-34)35-23-25-36(26-24-35)44(37-19-11-13-31(29-37)39-21-7-9-27-41-39)38-20-12-14-32(30-38)40-22-8-10-28-42-40;1-4-14-30(15-5-1)32-24-34(39-20-10-12-22-41-39)28-37(26-32)43(36-18-8-3-9-19-36)38-27-33(31-16-6-2-7-17-31)25-35(29-38)40-21-11-13-23-42-40;26-23(19-9-5-7-17(15-19)21-11-1-3-13-24-21)20-10-6-8-18(16-20)22-12-2-4-14-25-22;1-5-15-13-17(7-1)25-21-11-3-9-19(23-21)20-10-4-12-22(24-20)26-18-8-2-6-16(15)14-18;23-19-12-13-24-20(19)18-11-5-10-17(22-18)16-9-4-8-15(21-16)14-6-2-1-3-7-14;;;;;/h1-28,39H;1-27,39H;1-14,21H;1-12H;1-6,8-13,23H;;;;;/q3*-3;-2;-1;;;;;+2
• InChIKey: OOUIUCBZWOYHEX-UHFFFAOYSA-N
• XLogP: 36.86
• TPSA: 198.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3092.91
LogP ≤ 5	36.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 157341604?

The IUPAC name of CID 157341604 (CID 157341604) is not available.

What is the SMILES notation for CID 157341604?

The canonical SMILES for CID 157341604 is O=C(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(C2C=CC=C[N-]2)ccc1.Oc1ccsc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Pt+2].[Pt].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)cc(-c2ccccc2)cc1N(c1[c-]c(C2C=CC=C[N-]2)cc(-c2ccccc2)c1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(C2C=CC=C[N-]2)ccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1c2cccc1-c1[c-]c(ccc1)Oc1cccc(n1)-c1cccc(n1)O2.

What is the InChIKey of CID 157341604?

The InChIKey is OOUIUCBZWOYHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N4.C40H28N3.C23H15N2O.C22H12N2O2.C20H13N2OS.5Pt/c1-3-15-33(16-4-1)43(34-17-5-2-6-18-34)35-23-25-36(26-24-35)44(37-19-11-13-31(29-37)39-21-7-9-27-41-39)38-20-12-14-32(30-38)40-22-8-10-28-42-40;1-4-14-30(15-5-1)32-24-34(39-20-10-12-22-41-39)28-37(26-32)43(36-18-8-3-9-19-36)38-27-33(31-16-6-2-7-17-31)25-35(29-38)40-21-11-13-23-42-40;26-23(19-9-5-7-17(15-19)21-11-1-3-13-24-21)20-10-6-8-18(16-20)22-12-2-4-14-25-22;1-5-15-13-17(7-1)25-21-11-3-9-19(23-21)20-10-4-12-22(24-20)26-18-8-2-6-16(15)14-18;23-19-12-13-24-20(19)18-11-5-10-17(22-18)16-9-4-8-15(21-16)14-6-2-1-3-7-14;;;;;/h1-28,39H;1-27,39H;1-14,21H;1-12H;1-6,8-13,23H;;;;;/q3*-3;-2;-1;;;;;+2.

What are the key properties of CID 157341604?

CID 157341604 has a molecular weight of 3092.91 g/mol, XLogP of 36.86, 22 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157341604 is sourced from PubChem (CID 157341604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).