CID 158355297

C160H155F2N10O4Pt5- — CID 158355297

IUPAC—
SMILESCC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3ccc4cccc(O)c4n3)n2)c1.CC(C)(c1cccc(-c2[c-]ccc(C3CC4CCC3CC4)c2)n1)c1cccc(-c2[c-]ccc(C3CC4CCC3CC4)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(C3CCCCC3)c2)n1)c1cccc(-c2[c-]ccc(C3CCCCC3)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(O)c2)n1)c1cccc(-c2[c-]ccc(C(=O)O)c2)n1.Cc1c(F)c2[c-]c(c1F)C(C)(C)c1[c-]c(ccc1)-c1cccc(n1)C(C)(C)c1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C41H44N2.C37H40N2.C29H24F2N2.C27H27N2O.C26H20N2O3.5Pt/c1-41(2,39-13-5-11-37(42-39)33-9-3-7-31(25-33)35-23-27-15-19-29(35)20-16-27)40-14-6-12-38(43-40)34-10-4-8-32(26-34)36-24-28-17-21-30(36)22-18-28;1-37(2,35-23-11-21-33(38-35)31-19-9-17-29(25-31)27-13-5-3-6-14-27)36-24-12-22-34(39-36)32-20-10-18-30(26-32)28-15-7-4-8-16-28;1-17-26(30)20-16-21(27(17)31)28(2,3)19-10-6-9-18(15-19)22-11-7-13-24(32-22)29(4,5)25-14-8-12-23(20)33-25;1-26(2,3)20-11-6-10-19(17-20)21-12-8-14-23(28-21)27(4,5)24-16-15-18-9-7-13-22(30)25(18)29-24;1-26(2,24-14-6-12-22(28-24)18-8-4-10-20(29)16-18)23-13-5-11-21(27-23)17-7-3-9-19(15-17)25(30)31;;;;;/h3-8,11-14,25-30,35-36H,15-24H2,1-2H3;9-12,17-18,21-28H,3-8,13-16H2,1-2H3;6-14H,1-5H3;6-9,11-17,30H,1-5H3;3-6,9-16,29H,1-2H3,(H,30,31);;;;;/q3*-2;-1;-2;;4*+2
InChIKeyNPDNXBZPRIRHPP-UHFFFAOYSA-N
MW3295.45 g/mol
LogP38.67
Rot. Bonds20

About CID 158355297

CID 158355297 (PubChem CID 158355297) has the molecular formula C160H155F2N10O4Pt5- and a molecular weight of 3295.45 g/mol.

Molecular Properties

Compound NameCID 158355297
PubChem CID158355297
Molecular FormulaC160H155F2N10O4Pt5-
Molecular Weight3295.45 g/mol
Exact Mass3293.04
IUPAC Name—
SMILESCC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3ccc4cccc(O)c4n3)n2)c1.CC(C)(c1cccc(-c2[c-]ccc(C3CC4CCC3CC4)c2)n1)c1cccc(-c2[c-]ccc(C3CC4CCC3CC4)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(C3CCCCC3)c2)n1)c1cccc(-c2[c-]ccc(C3CCCCC3)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(O)c2)n1)c1cccc(-c2[c-]ccc(C(=O)O)c2)n1.Cc1c(F)c2[c-]c(c1F)C(C)(C)c1[c-]c(ccc1)-c1cccc(n1)C(C)(C)c1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C41H44N2.C37H40N2.C29H24F2N2.C27H27N2O.C26H20N2O3.5Pt/c1-41(2,39-13-5-11-37(42-39)33-9-3-7-31(25-33)35-23-27-15-19-29(35)20-16-27)40-14-6-12-38(43-40)34-10-4-8-32(26-34)36-24-28-17-21-30(36)22-18-28;1-37(2,35-23-11-21-33(38-35)31-19-9-17-29(25-31)27-13-5-3-6-14-27)36-24-12-22-34(39-36)32-20-10-18-30(26-32)28-15-7-4-8-16-28;1-17-26(30)20-16-21(27(17)31)28(2,3)19-10-6-9-18(15-19)22-11-7-13-24(32-22)29(4,5)25-14-8-12-23(20)33-25;1-26(2,3)20-11-6-10-19(17-20)21-12-8-14-23(28-21)27(4,5)24-16-15-18-9-7-13-22(30)25(18)29-24;1-26(2,24-14-6-12-22(28-24)18-8-4-10-20(29)16-18)23-13-5-11-21(27-23)17-7-3-9-19(15-17)25(30)31;;;;;/h3-8,11-14,25-30,35-36H,15-24H2,1-2H3;9-12,17-18,21-28H,3-8,13-16H2,1-2H3;6-14H,1-5H3;6-9,11-17,30H,1-5H3;3-6,9-16,29H,1-2H3,(H,30,31);;;;;/q3*-2;-1;-2;;4*+2
InChIKeyNPDNXBZPRIRHPP-UHFFFAOYSA-N
XLogP38.67
TPSA206.66 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003295.45
LogP ≤ 538.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158355297?
The IUPAC name of CID 158355297 (CID 158355297) is not available.
What is the SMILES notation for CID 158355297?
The canonical SMILES for CID 158355297 is CC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3ccc4cccc(O)c4n3)n2)c1.CC(C)(c1cccc(-c2[c-]ccc(C3CC4CCC3CC4)c2)n1)c1cccc(-c2[c-]ccc(C3CC4CCC3CC4)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(C3CCCCC3)c2)n1)c1cccc(-c2[c-]ccc(C3CCCCC3)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(O)c2)n1)c1cccc(-c2[c-]ccc(C(=O)O)c2)n1.Cc1c(F)c2[c-]c(c1F)C(C)(C)c1[c-]c(ccc1)-c1cccc(n1)C(C)(C)c1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of CID 158355297?
The InChIKey is NPDNXBZPRIRHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44N2.C37H40N2.C29H24F2N2.C27H27N2O.C26H20N2O3.5Pt/c1-41(2,39-13-5-11-37(42-39)33-9-3-7-31(25-33)35-23-27-15-19-29(35)20-16-27)40-14-6-12-38(43-40)34-10-4-8-32(26-34)36-24-28-17-21-30(36)22-18-28;1-37(2,35-23-11-21-33(38-35)31-19-9-17-29(25-31)27-13-5-3-6-14-27)36-24-12-22-34(39-36)32-20-10-18-30(26-32)28-15-7-4-8-16-28;1-17-26(30)20-16-21(27(17)31)28(2,3)19-10-6-9-18(15-19)22-11-7-13-24(32-22)29(4,5)25-14-8-12-23(20)33-25;1-26(2,3)20-11-6-10-19(17-20)21-12-8-14-23(28-21)27(4,5)24-16-15-18-9-7-13-22(30)25(18)29-24;1-26(2,24-14-6-12-22(28-24)18-8-4-10-20(29)16-18)23-13-5-11-21(27-23)17-7-3-9-19(15-17)25(30)31;;;;;/h3-8,11-14,25-30,35-36H,15-24H2,1-2H3;9-12,17-18,21-28H,3-8,13-16H2,1-2H3;6-14H,1-5H3;6-9,11-17,30H,1-5H3;3-6,9-16,29H,1-2H3,(H,30,31);;;;;/q3*-2;-1;-2;;4*+2.
What are the key properties of CID 158355297?
CID 158355297 has a molecular weight of 3295.45 g/mol, XLogP of 38.67, 20 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158355297 is sourced from PubChem (CID 158355297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).