5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane

C139H128B2N8O7Pt — CID 159571963

About 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane

5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane (PubChem CID 159571963) has the molecular formula C139H128B2N8O7Pt and a molecular weight of 2239.30 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane
• PubChem CID: 159571963
• Molecular Formula: C139H128B2N8O7Pt
• Molecular Weight: 2239.30 g/mol
• Exact Mass: 2237.97
• IUPAC Name: 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane
• SMILES: CC(C)(C)c1ccc(-c2cnnc(-c3[c-]c(Oc4[c-]c(-c5cc(-c6ccc(C(C)(C)C)cc6)cnn5)cc(-c5ccccc5)c4)cc(-c4ccccc4)c3)c2)cc1.CC(C)c1ccc(-c2cnnc(-c3cc(Oc4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C(C)(C)C)cc6)cnn5)c4)cc(-c4ccccc4)c3)c2)cc1.CC1(C)OB(c2cc(Oc3cc(B4OC(C)(C)C(C)(C)O4)cc(-c4ccccc4)c3)cc(-c3ccccc3)c2)OC1(C)C.[Pt+2]
• InChI: InChI=1S/C52H44N4O.C51H44N4O.C36H40B2O5.Pt/c1-51(2,3)45-21-17-37(18-22-45)43-31-49(55-53-33-43)41-25-39(35-13-9-7-10-14-35)27-47(29-41)57-48-28-40(36-15-11-8-12-16-36)26-42(30-48)50-32-44(34-54-56-50)38-19-23-46(24-20-38)52(4,5)6;1-34(2)35-16-18-38(19-17-35)44-30-49(54-52-32-44)42-24-40(36-12-8-6-9-13-36)26-47(28-42)56-48-27-41(37-14-10-7-11-15-37)25-43(29-48)50-31-45(33-53-55-50)39-20-22-46(23-21-39)51(3,4)5;1-33(2)34(3,4)41-37(40-33)29-19-27(25-15-11-9-12-16-25)21-31(23-29)39-32-22-28(26-17-13-10-14-18-26)20-30(24-32)38-42-35(5,6)36(7,8)43-38;/h7-28,31-34H,1-6H3;6-34H,1-5H3;9-24H,1-8H3;/q-2;;;+2
• InChIKey: XNXXXJNAAWMITP-UHFFFAOYSA-N
• XLogP: 34.15
• TPSA: 167.73 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2239.30
LogP ≤ 5	34.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane (CID 159571963) is 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane is CC(C)(C)c1ccc(-c2cnnc(-c3[c-]c(Oc4[c-]c(-c5cc(-c6ccc(C(C)(C)C)cc6)cnn5)cc(-c5ccccc5)c4)cc(-c4ccccc4)c3)c2)cc1.CC(C)c1ccc(-c2cnnc(-c3cc(Oc4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C(C)(C)C)cc6)cnn5)c4)cc(-c4ccccc4)c3)c2)cc1.CC1(C)OB(c2cc(Oc3cc(B4OC(C)(C)C(C)(C)O4)cc(-c4ccccc4)c3)cc(-c3ccccc3)c2)OC1(C)C.[Pt+2].

What is the InChIKey of 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane?

The InChIKey is XNXXXJNAAWMITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N4O.C51H44N4O.C36H40B2O5.Pt/c1-51(2,3)45-21-17-37(18-22-45)43-31-49(55-53-33-43)41-25-39(35-13-9-7-10-14-35)27-47(29-41)57-48-28-40(36-15-11-8-12-16-36)26-42(30-48)50-32-44(34-54-56-50)38-19-23-46(24-20-38)52(4,5)6;1-34(2)35-16-18-38(19-17-35)44-30-49(54-52-32-44)42-24-40(36-12-8-6-9-13-36)26-47(28-42)56-48-27-41(37-14-10-7-11-15-37)25-43(29-48)50-31-45(33-53-55-50)39-20-22-46(23-21-39)51(3,4)5;1-33(2)34(3,4)41-37(40-33)29-19-27(25-15-11-9-12-16-25)21-31(23-29)39-32-22-28(26-17-13-10-14-18-26)20-30(24-32)38-42-35(5,6)36(7,8)43-38;/h7-28,31-34H,1-6H3;6-34H,1-5H3;9-24H,1-8H3;/q-2;;;+2.

What are the key properties of 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane?

5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane has a molecular weight of 2239.30 g/mol, XLogP of 34.15, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butylphenyl)-3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]pyridazine;3-[3-[3-[5-(4-tert-butylphenyl)pyridazin-3-yl]-5-phenylphenoxy]-5-phenylphenyl]-5-(4-propan-2-ylphenyl)pyridazine;platinum(2+);4,4,5,5-tetramethyl-2-[3-phenyl-5-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 159571963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).