CID 163576793

C212H241N19OPt4 — CID 163576793

About CID 163576793

CID 163576793 (PubChem CID 163576793) has the molecular formula C212H241N19OPt4 and a molecular weight of 3851.70 g/mol.

Molecular Properties

• Compound Name: CID 163576793
• PubChem CID: 163576793
• Molecular Formula: C212H241N19OPt4
• Molecular Weight: 3851.70 g/mol
• Exact Mass: 3848.80
• IUPAC Name: —
• SMILES: 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-]c4[nH]c5ccccc5ccc4cc3ccc3ccccc32)cccc1-n1c2ccccc2c2cccnc21.[c-]1c(-n2c3[c-]c4c(cc3c3ccccc32)C=Cc2ccccc2N4c2ccccn2)cccc1-n1c2ccccc2c2cccnc21.[c-]1c(N2c3[c-]c4c(cc3C=Cc3ccccc32)c2ccccc2n4-c2ccccn2)cccc1-n1c2ccccc2c2cccnc21.[c-]1c(Oc2ccccn2)cccc1-n1c2[c-]c3c(ccc4ccccc4n3-c3ccccn3)cc2ccc2ccccc21.c1ccncc1
• InChI: InChI=1S/2C42H25N5.C39H24N4.C38H24N4O.C5H5N.23C2H6.4Pt/c1-4-17-36-28(11-1)21-22-29-25-35-33-15-3-5-18-37(33)45(40(35)27-39(29)47(36)41-20-7-8-23-43-41)30-12-9-13-31(26-30)46-38-19-6-2-14-32(38)34-16-10-24-44-42(34)46;1-4-17-36-28(11-1)21-22-29-25-35-33-15-3-6-19-38(33)47(41-20-7-8-23-43-41)40(35)27-39(29)45(36)30-12-9-13-31(26-30)46-37-18-5-2-14-32(37)34-16-10-24-44-42(34)46;1-4-15-34-26(9-1)18-20-28-23-29-21-19-27-10-2-5-16-36(27)42(38(29)25-35(28)41-34)30-11-7-12-31(24-30)43-37-17-6-3-13-32(37)33-14-8-22-40-39(33)43;1-3-14-33-27(10-1)18-20-29-24-30-21-19-28-11-2-4-15-34(28)42(37-16-5-7-22-39-37)36(30)26-35(29)41(33)31-12-9-13-32(25-31)43-38-17-6-8-23-40-38;1-2-4-6-5-3-1;23*1-2;;;;/h2*1-25H;1-23,41H;1-24H;1-5H;23*1-2H3;;;;/q4*-2;;;;;;;;;;;;;;;;;;;;;;;;;4*+2
• InChIKey: XSQHKEORFPWLPN-UHFFFAOYSA-N
• XLogP: 63.95
• TPSA: 174.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3851.70
LogP ≤ 5	63.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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 163576793?

The IUPAC name of CID 163576793 (CID 163576793) is not available.

What is the SMILES notation for CID 163576793?

The canonical SMILES for CID 163576793 is 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-]c4[nH]c5ccccc5ccc4cc3ccc3ccccc32)cccc1-n1c2ccccc2c2cccnc21.[c-]1c(-n2c3[c-]c4c(cc3c3ccccc32)C=Cc2ccccc2N4c2ccccn2)cccc1-n1c2ccccc2c2cccnc21.[c-]1c(N2c3[c-]c4c(cc3C=Cc3ccccc32)c2ccccc2n4-c2ccccn2)cccc1-n1c2ccccc2c2cccnc21.[c-]1c(Oc2ccccn2)cccc1-n1c2[c-]c3c(ccc4ccccc4n3-c3ccccn3)cc2ccc2ccccc21.c1ccncc1.

What is the InChIKey of CID 163576793?

The InChIKey is XSQHKEORFPWLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H25N5.C39H24N4.C38H24N4O.C5H5N.23C2H6.4Pt/c1-4-17-36-28(11-1)21-22-29-25-35-33-15-3-5-18-37(33)45(40(35)27-39(29)47(36)41-20-7-8-23-43-41)30-12-9-13-31(26-30)46-38-19-6-2-14-32(38)34-16-10-24-44-42(34)46;1-4-17-36-28(11-1)21-22-29-25-35-33-15-3-6-19-38(33)47(41-20-7-8-23-43-41)40(35)27-39(29)45(36)30-12-9-13-31(26-30)46-37-18-5-2-14-32(37)34-16-10-24-44-42(34)46;1-4-15-34-26(9-1)18-20-28-23-29-21-19-27-10-2-5-16-36(27)42(38(29)25-35(28)41-34)30-11-7-12-31(24-30)43-37-17-6-3-13-32(37)33-14-8-22-40-39(33)43;1-3-14-33-27(10-1)18-20-29-24-30-21-19-28-11-2-4-15-34(28)42(37-16-5-7-22-39-37)36(30)26-35(29)41(33)31-12-9-13-32(25-31)43-38-17-6-8-23-40-38;1-2-4-6-5-3-1;23*1-2;;;;/h2*1-25H;1-23,41H;1-24H;1-5H;23*1-2H3;;;;/q4*-2;;;;;;;;;;;;;;;;;;;;;;;;;4*+2.

What are the key properties of CID 163576793?

CID 163576793 has a molecular weight of 3851.70 g/mol, XLogP of 63.95, 12 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163576793 is sourced from PubChem (CID 163576793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).