CID 157236101

C193H165N19OPd2Pt2 — CID 157236101

About CID 157236101

CID 157236101 (PubChem CID 157236101) has the molecular formula C193H165N19OPd2Pt2 and a molecular weight of 3369.57 g/mol.

Molecular Properties

• Compound Name: CID 157236101
• PubChem CID: 157236101
• Molecular Formula: C193H165N19OPd2Pt2
• Molecular Weight: 3369.57 g/mol
• Exact Mass: 3366.08
• IUPAC Name: —
• SMILES: CC(C)(C)c1cc(N(c2[c-]c3c(cc2)c2cc(C(C)(C)C)cc4c2n3-c2ncccc2C4(C)C)c2ccccc2)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1cc(N(c2[c-]c3c(cc2)c2cc(C(C)(C)C)cc4c2n3-c2ncccc2C4(C)C)c2ccccc2)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1cc2c3c(c1)c1ccc(N(c4[c-]c(-n5c6ccccc6c6cccnc65)ccc4)c4ccccc4)[c-]c1n3-c1ncccc1C2(C)C.CC(C)(C)c1cc2c3c(c1)c1ccc(Oc4[c-]c(N5c6ccccc6C(C)(C)c6cccnc65)ccc4)[c-]c1n3-c1ncccc1C2(C)C.[Pd+2].[Pd+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/2C51H45N5.C47H37N5.C44H38N4O.2Pd.2Pt/c2*1-49(2,3)32-26-36(30-37(27-32)55-44-21-13-12-18-38(44)40-19-14-24-52-47(40)55)54(34-16-10-9-11-17-34)35-22-23-39-41-28-33(50(4,5)6)29-43-46(41)56(45(39)31-35)48-42(51(43,7)8)20-15-25-53-48;1-46(2,3)30-26-38-36-23-22-34(29-42(36)52-43(38)40(27-30)47(4,5)39-20-13-25-49-45(39)52)50(31-14-7-6-8-15-31)32-16-11-17-33(28-32)51-41-21-10-9-18-35(41)37-19-12-24-48-44(37)51;1-42(2,3)27-23-32-31-20-19-30(26-38(31)48-39(32)36(24-27)44(6,7)35-17-12-22-46-41(35)48)49-29-14-10-13-28(25-29)47-37-18-9-8-15-33(37)43(4,5)34-16-11-21-45-40(34)47;;;;/h2*9-29H,1-8H3;6-27H,1-5H3;8-24H,1-7H3;;;;/q4*-2;4*+2
• InChIKey: WNZVZIDQPGQYGT-UHFFFAOYSA-N
• XLogP: 48.63
• TPSA: 159.82 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3369.57
LogP ≤ 5	48.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 157236101?

The IUPAC name of CID 157236101 (CID 157236101) is not available.

What is the SMILES notation for CID 157236101?

The canonical SMILES for CID 157236101 is CC(C)(C)c1cc(N(c2[c-]c3c(cc2)c2cc(C(C)(C)C)cc4c2n3-c2ncccc2C4(C)C)c2ccccc2)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1cc(N(c2[c-]c3c(cc2)c2cc(C(C)(C)C)cc4c2n3-c2ncccc2C4(C)C)c2ccccc2)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1cc2c3c(c1)c1ccc(N(c4[c-]c(-n5c6ccccc6c6cccnc65)ccc4)c4ccccc4)[c-]c1n3-c1ncccc1C2(C)C.CC(C)(C)c1cc2c3c(c1)c1ccc(Oc4[c-]c(N5c6ccccc6C(C)(C)c6cccnc65)ccc4)[c-]c1n3-c1ncccc1C2(C)C.[Pd+2].[Pd+2].[Pt+2].[Pt+2].

What is the InChIKey of CID 157236101?

The InChIKey is WNZVZIDQPGQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H45N5.C47H37N5.C44H38N4O.2Pd.2Pt/c2*1-49(2,3)32-26-36(30-37(27-32)55-44-21-13-12-18-38(44)40-19-14-24-52-47(40)55)54(34-16-10-9-11-17-34)35-22-23-39-41-28-33(50(4,5)6)29-43-46(41)56(45(39)31-35)48-42(51(43,7)8)20-15-25-53-48;1-46(2,3)30-26-38-36-23-22-34(29-42(36)52-43(38)40(27-30)47(4,5)39-20-13-25-49-45(39)52)50(31-14-7-6-8-15-31)32-16-11-17-33(28-32)51-41-21-10-9-18-35(41)37-19-12-24-48-44(37)51;1-42(2,3)27-23-32-31-20-19-30(26-38(31)48-39(32)36(24-27)44(6,7)35-17-12-22-46-41(35)48)49-29-14-10-13-28(25-29)47-37-18-9-8-15-33(37)43(4,5)34-16-11-21-45-40(34)47;;;;/h2*9-29H,1-8H3;6-27H,1-5H3;8-24H,1-7H3;;;;/q4*-2;4*+2.

What are the key properties of CID 157236101?

CID 157236101 has a molecular weight of 3369.57 g/mol, XLogP of 48.63, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157236101 is sourced from PubChem (CID 157236101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).