CID 158105154

C181H129N19Pt6 — CID 158105154

About CID 158105154

CID 158105154 (PubChem CID 158105154) has the molecular formula C181H129N19Pt6 and a molecular weight of 3740.62 g/mol.

Molecular Properties

• Compound Name: CID 158105154
• PubChem CID: 158105154
• Molecular Formula: C181H129N19Pt6
• Molecular Weight: 3740.62 g/mol
• Exact Mass: 3737.86
• IUPAC Name: —
• SMILES: CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]ccc3ccccc23)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2nc3ccccc3[n-]2)n1.CC1(C)c2[c-]c(ccc2)-c2cncc(n2)C(C)(C)c2cncc(n2)-c2[c-]c1ccc2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cc2ccccc2c(N(c2ccccc2)c2nc(-c3[c-]cccc3)cc3ccccc23)n1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1nc(N(c2ccccc2)c2cc3ccccc3c(-c3[c-]cccc3)n2)cc2ccccc12
• InChI: InChI=1S/2C36H23N3.C29H22N2.C28H19N3.C26H22N4.C26H20N4.6Pt/c1-4-14-26(15-5-1)35-31-22-12-10-18-28(31)24-33(37-35)39(30-20-8-3-9-21-30)34-25-29-19-11-13-23-32(29)36(38-34)27-16-6-2-7-17-27;1-4-14-26(15-5-1)33-24-28-18-10-12-22-31(28)35(37-33)39(30-20-8-3-9-21-30)36-32-23-13-11-19-29(32)25-34(38-36)27-16-6-2-7-17-27;1-29(2,27-19-9-17-25(30-27)22-12-4-3-5-13-22)28-20-10-18-26(31-28)24-16-8-14-21-11-6-7-15-23(21)24;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-25(2)19-9-5-7-17(11-19)21-13-27-15-23(29-21)26(3,4)24-16-28-14-22(30-24)18-8-6-10-20(25)12-18;1-26(2,23-16-8-14-19(27-23)18-10-4-3-5-11-18)24-17-9-15-22(28-24)25-29-20-12-6-7-13-21(20)30-25;;;;;;/h2*1-14,16,18-25H;3-12,14-15,17-20H,1-2H3;1-12,14,16-21H;5-10,13-16H,1-4H3;3-10,12-17H,1-2H3;;;;;;/q6*-2;6*+2
• InChIKey: MRBJRTWEOQXXLL-UHFFFAOYSA-N
• XLogP: 42.74
• TPSA: 217.17 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3740.62
LogP ≤ 5	42.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158105154?

The IUPAC name of CID 158105154 (CID 158105154) is not available.

What is the SMILES notation for CID 158105154?

The canonical SMILES for CID 158105154 is CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]ccc3ccccc23)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2nc3ccccc3[n-]2)n1.CC1(C)c2[c-]c(ccc2)-c2cncc(n2)C(C)(C)c2cncc(n2)-c2[c-]c1ccc2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cc2ccccc2c(N(c2ccccc2)c2nc(-c3[c-]cccc3)cc3ccccc23)n1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1nc(N(c2ccccc2)c2cc3ccccc3c(-c3[c-]cccc3)n2)cc2ccccc12.

What is the InChIKey of CID 158105154?

The InChIKey is MRBJRTWEOQXXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H23N3.C29H22N2.C28H19N3.C26H22N4.C26H20N4.6Pt/c1-4-14-26(15-5-1)35-31-22-12-10-18-28(31)24-33(37-35)39(30-20-8-3-9-21-30)34-25-29-19-11-13-23-32(29)36(38-34)27-16-6-2-7-17-27;1-4-14-26(15-5-1)33-24-28-18-10-12-22-31(28)35(37-33)39(30-20-8-3-9-21-30)36-32-23-13-11-19-29(32)25-34(38-36)27-16-6-2-7-17-27;1-29(2,27-19-9-17-25(30-27)22-12-4-3-5-13-22)28-20-10-18-26(31-28)24-16-8-14-21-11-6-7-15-23(21)24;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-25(2)19-9-5-7-17(11-19)21-13-27-15-23(29-21)26(3,4)24-16-28-14-22(30-24)18-8-6-10-20(25)12-18;1-26(2,23-16-8-14-19(27-23)18-10-4-3-5-11-18)24-17-9-15-22(28-24)25-29-20-12-6-7-13-21(20)30-25;;;;;;/h2*1-14,16,18-25H;3-12,14-15,17-20H,1-2H3;1-12,14,16-21H;5-10,13-16H,1-4H3;3-10,12-17H,1-2H3;;;;;;/q6*-2;6*+2.

What are the key properties of CID 158105154?

CID 158105154 has a molecular weight of 3740.62 g/mol, XLogP of 42.74, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158105154 is sourced from PubChem (CID 158105154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).