CID 157249519

C142H124N18O2Pt5S2 — CID 157249519

About CID 157249519

CID 157249519 (PubChem CID 157249519) has the molecular formula C142H124N18O2Pt5S2 and a molecular weight of 3154.20 g/mol.

Molecular Properties

• Compound Name: CID 157249519
• PubChem CID: 157249519
• Molecular Formula: C142H124N18O2Pt5S2
• Molecular Weight: 3154.20 g/mol
• Exact Mass: 3151.78
• IUPAC Name: —
• SMILES: CC1(C)C=C2N=C1C1=NC(=CC1(C)C)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2coc(n2)-c2nc1co2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2csc(n2)-c2nc1cs2.CC1(C)c2cn(-c3ccccc3)c(n2)-c2nc(cn2-c2ccccc2)C(C)(C)c2ccc([n-]2)-c2ccc1[n-]2.CN1c2[c-]c(ccc2)-c2[c-]c(ccc2)N(C)c2cn(-c3ccccc3)c(n2)-c2nc1cn2-c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C32H28N6.C32H24N6.C30H32N2.C24H20N2O2.C24H20N2S2.5Pt/c1-31(2)25-17-15-23(33-25)24-16-18-26(34-24)32(3,4)28-20-38(22-13-9-6-10-14-22)30(36-28)29-35-27(31)19-37(29)21-11-7-5-8-12-21;1-35-27-17-9-11-23(19-27)24-12-10-18-28(20-24)36(2)30-22-38(26-15-7-4-8-16-26)32(34-30)31-33-29(35)21-37(31)25-13-5-3-6-14-25;1-27(2)17-23-29(5,6)21-13-9-11-19(15-21)20-12-10-14-22(16-20)30(7,8)24-18-28(3,4)26(32-24)25(27)31-23;2*1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)20-14-28-22(26-20)21-25-19(23)13-27-21;;;;;/h5-20H,1-4H3;3-18,21-22H,1-2H3;9-14,17-18H,1-8H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2
• InChIKey: UVYNAWCXZXPUEP-UHFFFAOYSA-N
• XLogP: 32.41
• TPSA: 208.52 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 4
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3154.20
LogP ≤ 5	32.41
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 157249519?

The IUPAC name of CID 157249519 (CID 157249519) is not available.

What is the SMILES notation for CID 157249519?

The canonical SMILES for CID 157249519 is CC1(C)C=C2N=C1C1=NC(=CC1(C)C)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2coc(n2)-c2nc1co2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2csc(n2)-c2nc1cs2.CC1(C)c2cn(-c3ccccc3)c(n2)-c2nc(cn2-c2ccccc2)C(C)(C)c2ccc([n-]2)-c2ccc1[n-]2.CN1c2[c-]c(ccc2)-c2[c-]c(ccc2)N(C)c2cn(-c3ccccc3)c(n2)-c2nc1cn2-c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of CID 157249519?

The InChIKey is UVYNAWCXZXPUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6.C32H24N6.C30H32N2.C24H20N2O2.C24H20N2S2.5Pt/c1-31(2)25-17-15-23(33-25)24-16-18-26(34-24)32(3,4)28-20-38(22-13-9-6-10-14-22)30(36-28)29-35-27(31)19-37(29)21-11-7-5-8-12-21;1-35-27-17-9-11-23(19-27)24-12-10-18-28(20-24)36(2)30-22-38(26-15-7-4-8-16-26)32(34-30)31-33-29(35)21-37(31)25-13-5-3-6-14-25;1-27(2)17-23-29(5,6)21-13-9-11-19(15-21)20-12-10-14-22(16-20)30(7,8)24-18-28(3,4)26(32-24)25(27)31-23;2*1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)20-14-28-22(26-20)21-25-19(23)13-27-21;;;;;/h5-20H,1-4H3;3-18,21-22H,1-2H3;9-14,17-18H,1-8H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2.

What are the key properties of CID 157249519?

CID 157249519 has a molecular weight of 3154.20 g/mol, XLogP of 32.41, 4 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157249519 is sourced from PubChem (CID 157249519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).