CID 160737136

C155H100N18O6Pt4 — CID 160737136

About CID 160737136

CID 160737136 (PubChem CID 160737136) has the molecular formula C155H100N18O6Pt4 and a molecular weight of 3090.94 g/mol.

Molecular Properties

• Compound Name: CID 160737136
• PubChem CID: 160737136
• Molecular Formula: C155H100N18O6Pt4
• Molecular Weight: 3090.94 g/mol
• Exact Mass: 3088.67
• IUPAC Name: —
• SMILES: Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)ccc3c3ccccc3n12.Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccc6c4n5-c4ncccc4C6(C)C)ccc3c3ccccc3n12.Cc1ccnc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5ccccc5C)nnc43)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4c(-c5ccccc5)cccc4-c4ccccc4)nnc32)cccc1Oc1ccccn1
• InChI: InChI=1S/C43H26N4O2.C41H27N5O.C38H25N5O.C33H22N4O2.4Pt/c1-3-13-29(14-4-1)34-20-12-21-35(30-15-5-2-6-16-30)41(34)43-46-45-42-38-28-33(24-25-36(38)37-19-7-8-22-39(37)47(42)43)48-31-17-11-18-32(27-31)49-40-23-9-10-26-44-40;1-24-10-4-5-11-27(24)38-43-44-39-32-22-25(17-19-28(32)29-12-6-7-16-35(29)46(38)39)47-26-18-20-30-31-13-8-14-33-37(31)45(36(30)23-26)40-34(41(33,2)3)15-9-21-42-40;1-26-12-5-6-17-31(26)37-40-41-38-34-25-30(21-22-32(34)33-18-7-8-19-35(33)43(37)38)44-29-16-11-15-28(24-29)42(27-13-3-2-4-14-27)36-20-9-10-23-39-36;1-21-16-17-34-31(18-21)39-24-10-7-9-23(19-24)38-25-14-15-27-28-12-5-6-13-30(28)37-32(26-11-4-3-8-22(26)2)35-36-33(37)29(27)20-25;;;;/h1-26H;4-21H,1-3H3;2-23H,1H3;3-18H,1-2H3;;;;/q4*-2;4*+2
• InChIKey: LXPBGFDTBIEKAT-UHFFFAOYSA-N
• XLogP: 37.31
• TPSA: 235.87 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3090.94
LogP ≤ 5	37.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 160737136?

The IUPAC name of CID 160737136 (CID 160737136) is not available.

What is the SMILES notation for CID 160737136?

The canonical SMILES for CID 160737136 is Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)ccc3c3ccccc3n12.Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccc6c4n5-c4ncccc4C6(C)C)ccc3c3ccccc3n12.Cc1ccnc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5ccccc5C)nnc43)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4c(-c5ccccc5)cccc4-c4ccccc4)nnc32)cccc1Oc1ccccn1.

What is the InChIKey of CID 160737136?

The InChIKey is LXPBGFDTBIEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O2.C41H27N5O.C38H25N5O.C33H22N4O2.4Pt/c1-3-13-29(14-4-1)34-20-12-21-35(30-15-5-2-6-16-30)41(34)43-46-45-42-38-28-33(24-25-36(38)37-19-7-8-22-39(37)47(42)43)48-31-17-11-18-32(27-31)49-40-23-9-10-26-44-40;1-24-10-4-5-11-27(24)38-43-44-39-32-22-25(17-19-28(32)29-12-6-7-16-35(29)46(38)39)47-26-18-20-30-31-13-8-14-33-37(31)45(36(30)23-26)40-34(41(33,2)3)15-9-21-42-40;1-26-12-5-6-17-31(26)37-40-41-38-34-25-30(21-22-32(34)33-18-7-8-19-35(33)43(37)38)44-29-16-11-15-28(24-29)42(27-13-3-2-4-14-27)36-20-9-10-23-39-36;1-21-16-17-34-31(18-21)39-24-10-7-9-23(19-24)38-25-14-15-27-28-12-5-6-13-30(28)37-32(26-11-4-3-8-22(26)2)35-36-33(37)29(27)20-25;;;;/h1-26H;4-21H,1-3H3;2-23H,1H3;3-18H,1-2H3;;;;/q4*-2;4*+2.

What are the key properties of CID 160737136?

CID 160737136 has a molecular weight of 3090.94 g/mol, XLogP of 37.31, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for CID 160737136 is sourced from PubChem (CID 160737136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).