CID 159167369

C182H112N17O4Pt4-3 — CID 159167369

About CID 159167369

CID 159167369 (PubChem CID 159167369) has the molecular formula C182H112N17O4Pt4-3 and a molecular weight of 3381.32 g/mol.

Molecular Properties

• Compound Name: CID 159167369
• PubChem CID: 159167369
• Molecular Formula: C182H112N17O4Pt4-3
• Molecular Weight: 3381.32 g/mol
• Exact Mass: 3378.77
• IUPAC Name: —
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)[c-]c(-c2cc3ccccc3cn2)c1.Cc1cc(Oc2[c-]c3c(cc2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)[c-]c(-c2nccc3ccccc23)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)cccc1-c1cc2ccccc2cn1.[c-]1c(Oc2[c-]c3c(cc2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C48H30N5O.2C45H28N4O.C44H26N4O.4Pt/c1-3-14-33(15-4-1)50-32-51(42-23-10-9-22-41(42)50)35-18-13-19-36(30-35)54-37-25-26-39-45(31-37)53(46-24-11-12-29-49-46)44-28-27-43-47(48(39)44)38-20-7-8-21-40(38)52(43)34-16-5-2-6-17-34;1-29-23-32(38-26-30-11-5-6-12-31(30)28-47-38)25-35(24-29)50-34-18-19-37-42(27-34)49(43-17-9-10-22-46-43)41-21-20-40-44(45(37)41)36-15-7-8-16-39(36)48(40)33-13-3-2-4-14-33;1-29-25-31(45-35-14-6-5-11-30(35)22-24-47-45)27-34(26-29)50-33-18-19-37-41(28-33)49(42-17-9-10-23-46-42)40-21-20-39-43(44(37)40)36-15-7-8-16-38(36)48(39)32-12-3-2-4-13-32;1-2-14-32(15-3-1)47-38-18-7-6-17-35(38)43-39(47)22-23-40-44(43)36-21-20-34(27-41(36)48(40)42-19-8-9-24-45-42)49-33-16-10-13-30(25-33)37-26-29-11-4-5-12-31(29)28-46-37;;;;/h1-29,32H;2-24,26,28H,1H3;2-26H,1H3;1-24,26,28H;;;;/q-3;3*-2;;3*+2
• InChIKey: VTHZFQIMMLCRFT-UHFFFAOYSA-N
• XLogP: 45.34
• TPSA: 173.07 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3381.32
LogP ≤ 5	45.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 159167369?

The IUPAC name of CID 159167369 (CID 159167369) is not available.

What is the SMILES notation for CID 159167369?

The canonical SMILES for CID 159167369 is Cc1cc(Oc2[c-]c3c(cc2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)[c-]c(-c2cc3ccccc3cn2)c1.Cc1cc(Oc2[c-]c3c(cc2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)[c-]c(-c2nccc3ccccc23)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)cccc1-c1cc2ccccc2cn1.[c-]1c(Oc2[c-]c3c(cc2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21.

What is the InChIKey of CID 159167369?

The InChIKey is VTHZFQIMMLCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N5O.2C45H28N4O.C44H26N4O.4Pt/c1-3-14-33(15-4-1)50-32-51(42-23-10-9-22-41(42)50)35-18-13-19-36(30-35)54-37-25-26-39-45(31-37)53(46-24-11-12-29-49-46)44-28-27-43-47(48(39)44)38-20-7-8-21-40(38)52(43)34-16-5-2-6-17-34;1-29-23-32(38-26-30-11-5-6-12-31(30)28-47-38)25-35(24-29)50-34-18-19-37-42(27-34)49(43-17-9-10-22-46-43)41-21-20-40-44(45(37)41)36-15-7-8-16-39(36)48(40)33-13-3-2-4-14-33;1-29-25-31(45-35-14-6-5-11-30(35)22-24-47-45)27-34(26-29)50-33-18-19-37-41(28-33)49(42-17-9-10-23-46-42)40-21-20-39-43(44(37)40)36-15-7-8-16-38(36)48(39)32-12-3-2-4-13-32;1-2-14-32(15-3-1)47-38-18-7-6-17-35(38)43-39(47)22-23-40-44(43)36-21-20-34(27-41(36)48(40)42-19-8-9-24-45-42)49-33-16-10-13-30(25-33)37-26-29-11-4-5-12-31(29)28-46-37;;;;/h1-29,32H;2-24,26,28H,1H3;2-26H,1H3;1-24,26,28H;;;;/q-3;3*-2;;3*+2.

What are the key properties of CID 159167369?

CID 159167369 has a molecular weight of 3381.32 g/mol, XLogP of 45.34, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159167369 is sourced from PubChem (CID 159167369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).