CID 157222014

C204H144N22Pt7 — CID 157222014

About CID 157222014

CID 157222014 (PubChem CID 157222014) has the molecular formula C204H144N22Pt7 and a molecular weight of 4269.10 g/mol.

Molecular Properties

• Compound Name: CID 157222014
• PubChem CID: 157222014
• Molecular Formula: C204H144N22Pt7
• Molecular Weight: 4269.10 g/mol
• Exact Mass: 4265.95
• 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)-c2ccc3ccc4ccc5ccc([c-]c5c4c3n2)-c2cccc1n2.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].[Pt+2].[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1nc(N(c2ccccc2)c2cc3ccccc3c(-c3[c-]cccc3)n2)cc2ccccc12.c1cc2nc(c1)-c1ccccc1[N-]c1ccccc1[N-]c1ccccc1-c1cccc-2n1
• InChI: InChI=1S/C36H23N3.C31H20N2.C29H22N2.C28H18N4.C28H19N3.C26H22N4.C26H20N4.7Pt/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;1-31(2)24-6-3-5-22(17-24)27-16-15-21-13-12-20-11-9-19-10-14-23(26-7-4-8-28(31)32-26)18-25(19)29(20)30(21)33-27;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;1-3-11-21-19(9-1)23-15-7-17-27(31-23)28-18-8-16-24(32-28)20-10-2-4-12-22(20)30-26-14-6-5-13-25(26)29-21;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;;;;;;;/h1-14,16,18-25H;3-16H,1-2H3;3-12,14-15,17-20H,1-2H3;1-18H;1-12,14,16-21H;5-10,13-16H,1-4H3;3-10,12-17H,1-2H3;;;;;;;/q7*-2;7*+2
• InChIKey: OISVXPWCJFNDLQ-UHFFFAOYSA-N
• XLogP: 49.52
• TPSA: 267.91 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4269.10
LogP ≤ 5	49.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 157222014?

The IUPAC name of CID 157222014 (CID 157222014) is not available.

What is the SMILES notation for CID 157222014?

The canonical SMILES for CID 157222014 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)-c2ccc3ccc4ccc5ccc([c-]c5c4c3n2)-c2cccc1n2.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].[Pt+2].[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1nc(N(c2ccccc2)c2cc3ccccc3c(-c3[c-]cccc3)n2)cc2ccccc12.c1cc2nc(c1)-c1ccccc1[N-]c1ccccc1[N-]c1ccccc1-c1cccc-2n1.

What is the InChIKey of CID 157222014?

The InChIKey is OISVXPWCJFNDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3.C31H20N2.C29H22N2.C28H18N4.C28H19N3.C26H22N4.C26H20N4.7Pt/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;1-31(2)24-6-3-5-22(17-24)27-16-15-21-13-12-20-11-9-19-10-14-23(26-7-4-8-28(31)32-26)18-25(19)29(20)30(21)33-27;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;1-3-11-21-19(9-1)23-15-7-17-27(31-23)28-18-8-16-24(32-28)20-10-2-4-12-22(20)30-26-14-6-5-13-25(26)29-21;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;;;;;;;/h1-14,16,18-25H;3-16H,1-2H3;3-12,14-15,17-20H,1-2H3;1-18H;1-12,14,16-21H;5-10,13-16H,1-4H3;3-10,12-17H,1-2H3;;;;;;;/q7*-2;7*+2.

What are the key properties of CID 157222014?

CID 157222014 has a molecular weight of 4269.10 g/mol, XLogP of 49.52, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157222014 is sourced from PubChem (CID 157222014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).