CID 163710259

C212H239N19OPt4 — CID 163710259

About CID 163710259

CID 163710259 (PubChem CID 163710259) has the molecular formula C212H239N19OPt4 and a molecular weight of 3849.69 g/mol.

Molecular Properties

• Compound Name: CID 163710259
• PubChem CID: 163710259
• Molecular Formula: C212H239N19OPt4
• Molecular Weight: 3849.69 g/mol
• Exact Mass: 3846.78
• IUPAC Name: —
• SMILES: C1=Cc2cccc(-c3cccc(Oc4cccc(-c5cccc6c5[N-]c5ccccc5C=C6)n4)n3)c2[N-]c2ccccc21.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(N2c3[c-]c4c(cc3C=Cc3ccccc32)c2ccccc2n4-c2ccccn2)ccc2c3ccccc3n(-c3ccccn3)c12.[c-]1c2c(cc3c4ccccc4n(-c4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)c13)C=Cc1ccccc1N2c1ccccn1.[c-]1c2c(ccc3ccccc3n2-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc2ccc3ccccc3n(-c3ccccn3)c12
• InChI: InChI=1S/C44H27N5.2C42H25N5.C38H24N4O.23C2H6.4Pt/c1-4-14-37-30(11-1)19-21-32-27-33-22-20-31-12-2-5-15-38(31)48(43-17-7-9-25-45-43)41(33)29-40(32)47(37)34-23-24-36-35-13-3-6-16-39(35)49(42(36)28-34)44-18-8-10-26-46-44;1-4-14-35-28(11-1)19-20-29-25-34-32-13-3-5-15-36(32)45(40(34)27-38(29)46(35)41-17-7-9-23-43-41)30-21-22-33-31-12-2-6-16-37(31)47(39(33)26-30)42-18-8-10-24-44-42;1-4-14-35-28(11-1)19-20-29-25-34-32-13-3-6-16-37(32)47(42-18-8-10-24-44-42)40(34)27-38(29)45(35)30-21-22-33-31-12-2-5-15-36(31)46(39(33)26-30)41-17-7-9-23-43-41;1-3-15-31-25(9-1)21-23-27-11-5-13-29(37(27)41-31)33-17-7-19-35(39-33)43-36-20-8-18-34(40-36)30-14-6-12-28-24-22-26-10-2-4-16-32(26)42-38(28)30;23*1-2;;;;/h1-27H;2*1-25H;1-24H;23*1-2H3;;;;/q4*-2;;;;;;;;;;;;;;;;;;;;;;;;4*+2
• InChIKey: KOGCRIONWYWKAI-UHFFFAOYSA-N
• XLogP: 65.78
• TPSA: 181.54 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3849.69
LogP ≤ 5	65.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163710259?

The IUPAC name of CID 163710259 (CID 163710259) is not available.

What is the SMILES notation for CID 163710259?

The canonical SMILES for CID 163710259 is C1=Cc2cccc(-c3cccc(Oc4cccc(-c5cccc6c5[N-]c5ccccc5C=C6)n4)n3)c2[N-]c2ccccc21.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(N2c3[c-]c4c(cc3C=Cc3ccccc32)c2ccccc2n4-c2ccccn2)ccc2c3ccccc3n(-c3ccccn3)c12.[c-]1c2c(cc3c4ccccc4n(-c4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)c13)C=Cc1ccccc1N2c1ccccn1.[c-]1c2c(ccc3ccccc3n2-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc2ccc3ccccc3n(-c3ccccn3)c12.

What is the InChIKey of CID 163710259?

The InChIKey is KOGCRIONWYWKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5.2C42H25N5.C38H24N4O.23C2H6.4Pt/c1-4-14-37-30(11-1)19-21-32-27-33-22-20-31-12-2-5-15-38(31)48(43-17-7-9-25-45-43)41(33)29-40(32)47(37)34-23-24-36-35-13-3-6-16-39(35)49(42(36)28-34)44-18-8-10-26-46-44;1-4-14-35-28(11-1)19-20-29-25-34-32-13-3-5-15-36(32)45(40(34)27-38(29)46(35)41-17-7-9-23-43-41)30-21-22-33-31-12-2-6-16-37(31)47(39(33)26-30)42-18-8-10-24-44-42;1-4-14-35-28(11-1)19-20-29-25-34-32-13-3-6-16-37(32)47(42-18-8-10-24-44-42)40(34)27-38(29)45(35)30-21-22-33-31-12-2-5-15-36(31)46(39(33)26-30)41-17-7-9-23-43-41;1-3-15-31-25(9-1)21-23-27-11-5-13-29(37(27)41-31)33-17-7-19-35(39-33)43-36-20-8-18-34(40-36)30-14-6-12-28-24-22-26-10-2-4-16-32(26)42-38(28)30;23*1-2;;;;/h1-27H;2*1-25H;1-24H;23*1-2H3;;;;/q4*-2;;;;;;;;;;;;;;;;;;;;;;;;4*+2.

What are the key properties of CID 163710259?

CID 163710259 has a molecular weight of 3849.69 g/mol, XLogP of 65.78, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163710259 is sourced from PubChem (CID 163710259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).