dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium

C172H245B2Br2ClCs2N4O9PPd+ — CID 159062423

About dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium

dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium (PubChem CID 159062423) has the molecular formula C172H245B2Br2ClCs2N4O9PPd+ and a molecular weight of 3132.96 g/mol. Its IUPAC name is dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium.

Molecular Properties

• Compound Name: dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium
• PubChem CID: 159062423
• Molecular Formula: C172H245B2Br2ClCs2N4O9PPd+
• Molecular Weight: 3132.96 g/mol
• Exact Mass: 3128.40
• IUPAC Name: dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium
• SMILES: C.C.CC(C)[PH+](C(C)C)C(C)C.CCC.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCOc1ccc(-c2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3n2CCCCCCCC)cc1.CCCCCCCCn1c(-c2ccc(COCCCCCCC)cc2)nc2c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccccc6)ccc4-5)ccc3c3ccc(-c4ccccc4)cc3c21.Cl[Pd+].O=CO[O-].[CH3-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C78H94N2O.C41H64B2O4.C37H44Br2N2O.C9H21P.C3H8.CH2O3.2CH4.CH3.ClH.2Cs.Pd.H/c1-5-9-13-17-20-30-50-78(51-31-21-18-14-10-6-2)73-56-65(61-36-28-25-29-37-61)44-48-69(73)70-49-45-66(57-74(70)78)64-43-46-67-68-47-42-63(60-34-26-24-27-35-60)55-72(68)76-75(71(67)54-64)79-77(80(76)52-32-22-19-15-11-7-3)62-40-38-59(39-41-62)58-81-53-33-23-16-12-8-4;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-3-5-7-9-11-13-23-41-36-34-26-29(39)18-22-32(34)31-21-17-28(38)25-33(31)35(36)40-37(41)27-15-19-30(20-16-27)42-24-14-12-10-8-6-4-2;1-7(2)10(8(3)4)9(5)6;1-3-2;2-1-4-3;;;;;;;;/h24-29,34-49,54-57H,5-23,30-33,50-53,58H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-22,25-26H,3-14,23-24H2,1-2H3;7-9H,1-6H3;3H2,1-2H3;1,3H;2*1H4;1H3;1H;;;;/q;;;;;;;;-1;;2*+1;+2;-1/p-1
• InChIKey: MXIMBVFZJXXLKO-UHFFFAOYSA-M
• XLogP: 46.12
• TPSA: 140.38 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 69
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3132.96
LogP ≤ 5	46.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium?

The IUPAC name of dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium (CID 159062423) is dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium.

What is the SMILES notation for dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium?

The canonical SMILES for dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium is C.C.CC(C)[PH+](C(C)C)C(C)C.CCC.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCOc1ccc(-c2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3n2CCCCCCCC)cc1.CCCCCCCCn1c(-c2ccc(COCCCCCCC)cc2)nc2c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccccc6)ccc4-5)ccc3c3ccc(-c4ccccc4)cc3c21.Cl[Pd+].O=CO[O-].[CH3-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium?

The InChIKey is MXIMBVFZJXXLKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C78H94N2O.C41H64B2O4.C37H44Br2N2O.C9H21P.C3H8.CH2O3.2CH4.CH3.ClH.2Cs.Pd.H/c1-5-9-13-17-20-30-50-78(51-31-21-18-14-10-6-2)73-56-65(61-36-28-25-29-37-61)44-48-69(73)70-49-45-66(57-74(70)78)64-43-46-67-68-47-42-63(60-34-26-24-27-35-60)55-72(68)76-75(71(67)54-64)79-77(80(76)52-32-22-19-15-11-7-3)62-40-38-59(39-41-62)58-81-53-33-23-16-12-8-4;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-3-5-7-9-11-13-23-41-36-34-26-29(39)18-22-32(34)31-21-17-28(38)25-33(31)35(36)40-37(41)27-15-19-30(20-16-27)42-24-14-12-10-8-6-4-2;1-7(2)10(8(3)4)9(5)6;1-3-2;2-1-4-3;;;;;;;;/h24-29,34-49,54-57H,5-23,30-33,50-53,58H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-22,25-26H,3-14,23-24H2,1-2H3;7-9H,1-6H3;3H2,1-2H3;1,3H;2*1H4;1H3;1H;;;;/q;;;;;;;;-1;;2*+1;+2;-1/p-1.

What are the key properties of dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium?

dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium has a molecular weight of 3132.96 g/mol, XLogP of 46.12, 69 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;carbanide;chloropalladium(1+);5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole;5-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-[4-(heptoxymethyl)phenyl]-1-octyl-10-phenylphenanthro[9,10-d]imidazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;methane;oxido formate;propane;tri(propan-2-yl)phosphanium is sourced from PubChem (CID 159062423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).