CID 158206968

C193H120N23OPt5S-3 — CID 158206968

About CID 158206968

CID 158206968 (PubChem CID 158206968) has the molecular formula C193H120N23OPt5S-3 and a molecular weight of 3784.70 g/mol.

Molecular Properties

• Compound Name: CID 158206968
• PubChem CID: 158206968
• Molecular Formula: C193H120N23OPt5S-3
• Molecular Weight: 3784.70 g/mol
• Exact Mass: 3781.80
• IUPAC Name: —
• SMILES: CN1C=CN(c2[c-]c3c(cc2)-c2ccccc2-c2ccccc2N3c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[CH-]1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ccccc1-c1ccccc1N2c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ccccc1-c1ccccc1N2c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ncco2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1-c1ccccc1-2.[c-]1c(-c2nccs2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1-c1ccccc1-2
• InChI: InChI=1S/C39H26N5.2C39H25N5.C38H22N4O.C38H22N4S.5Pt/c1-41-22-23-42(26-41)27-17-19-33-30-11-3-2-10-29(30)31-12-4-6-14-35(31)43(37(33)24-27)28-18-20-34-32-13-5-7-15-36(32)44(38(34)25-28)39-16-8-9-21-40-39;2*1-42-23-22-41-39(42)26-17-19-32-29-11-3-2-10-28(29)30-12-4-6-14-34(30)43(36(32)24-26)27-18-20-33-31-13-5-7-15-35(31)44(37(33)25-27)38-16-8-9-21-40-38;2*1-2-10-28-27(9-1)29-11-3-5-13-33(29)41(35-23-25(16-18-31(28)35)38-40-21-22-43-38)26-17-19-32-30-12-4-6-14-34(30)42(36(32)24-26)37-15-7-8-20-39-37;;;;;/h2-23,26H,1H3;2*2-23H,1H3;2*1-22H;;;;;/q-3;4*-2;;4*+2
• InChIKey: UBBHALBLYLYMOU-UHFFFAOYSA-N
• XLogP: 47.39
• TPSA: 186.34 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3784.70
LogP ≤ 5	47.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158206968?

The IUPAC name of CID 158206968 (CID 158206968) is not available.

What is the SMILES notation for CID 158206968?

The canonical SMILES for CID 158206968 is CN1C=CN(c2[c-]c3c(cc2)-c2ccccc2-c2ccccc2N3c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[CH-]1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ccccc1-c1ccccc1N2c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ccccc1-c1ccccc1N2c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ncco2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1-c1ccccc1-2.[c-]1c(-c2nccs2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1-c1ccccc1-2.

What is the InChIKey of CID 158206968?

The InChIKey is UBBHALBLYLYMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N5.2C39H25N5.C38H22N4O.C38H22N4S.5Pt/c1-41-22-23-42(26-41)27-17-19-33-30-11-3-2-10-29(30)31-12-4-6-14-35(31)43(37(33)24-27)28-18-20-34-32-13-5-7-15-36(32)44(38(34)25-28)39-16-8-9-21-40-39;2*1-42-23-22-41-39(42)26-17-19-32-29-11-3-2-10-28(29)30-12-4-6-14-34(30)43(36(32)24-26)27-18-20-33-31-13-5-7-15-35(31)44(37(33)25-27)38-16-8-9-21-40-38;2*1-2-10-28-27(9-1)29-11-3-5-13-33(29)41(35-23-25(16-18-31(28)35)38-40-21-22-43-38)26-17-19-32-30-12-4-6-14-34(30)42(36(32)24-26)37-15-7-8-20-39-37;;;;;/h2-23,26H,1H3;2*2-23H,1H3;2*1-22H;;;;;/q-3;4*-2;;4*+2.

What are the key properties of CID 158206968?

CID 158206968 has a molecular weight of 3784.70 g/mol, XLogP of 47.39, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158206968 is sourced from PubChem (CID 158206968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).