3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C255H182BBr4ClFeN4O8P4Pd — CID 158445301

About 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 158445301) has the molecular formula C255H182BBr4ClFeN4O8P4Pd and a molecular weight of 4082.32 g/mol. Its IUPAC name is 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
• PubChem CID: 158445301
• Molecular Formula: C255H182BBr4ClFeN4O8P4Pd
• Molecular Weight: 4082.32 g/mol
• Exact Mass: 4074.78
• IUPAC Name: 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
• SMILES: Brc1cccc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC1(C)OB(c2ccccc2[N+](=O)[O-])OC1(C)C.Nc1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.O=C(Cc1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1cccc(Br)c1.O=C(Cl)c1cccc(Br)c1.O=[N+]([O-])c1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.[Fe].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C39H25BrO.C38H22BrN.C31H19NO2.C31H21N.C25H15Br.4C18H15P.C12H16BNO4.C7H4BrClO.Fe.Pd/c40-27-13-9-12-26(23-27)37(41)24-25-11-1-2-14-28(25)31-18-10-22-36-38(31)32-17-5-8-21-35(32)39(36)33-19-6-3-15-29(33)30-16-4-7-20-34(30)39;39-24-11-9-10-23(22-24)37-29-20-21-33-36(35(29)28-15-4-8-19-34(28)40-37)27-14-3-7-18-32(27)38(33)30-16-5-1-12-25(30)26-13-2-6-17-31(26)38;33-32(34)29-19-8-4-12-22(29)23-14-9-18-28-30(23)24-13-3-7-17-27(24)31(28)25-15-5-1-10-20(25)21-11-2-6-16-26(21)31;32-29-19-8-4-12-22(29)23-14-9-18-28-30(23)24-13-3-7-17-27(24)31(28)25-15-5-1-10-20(25)21-11-2-6-16-26(21)31;26-23-15-7-14-22-24(23)18-10-3-6-13-21(18)25(22)19-11-4-1-8-16(19)17-9-2-5-12-20(17)25;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)18-13(17-11)9-7-5-6-8-10(9)14(15)16;8-6-3-1-2-5(4-6)7(9)10;;/h1-23H,24H2;1-22H;1-19H;1-19H,32H2;1-15H;4*1-15H;5-8H,1-4H3;1-4H
• InChIKey: HDHXKMXVKPMZCQ-UHFFFAOYSA-N
• XLogP: 60.22
• TPSA: 177.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4082.32
LogP ≤ 5	60.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The IUPAC name of 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 158445301) is 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

What is the SMILES notation for 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The canonical SMILES for 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is Brc1cccc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC1(C)OB(c2ccccc2[N+](=O)[O-])OC1(C)C.Nc1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.O=C(Cc1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1cccc(Br)c1.O=C(Cl)c1cccc(Br)c1.O=[N+]([O-])c1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.[Fe].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The InChIKey is HDHXKMXVKPMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25BrO.C38H22BrN.C31H19NO2.C31H21N.C25H15Br.4C18H15P.C12H16BNO4.C7H4BrClO.Fe.Pd/c40-27-13-9-12-26(23-27)37(41)24-25-11-1-2-14-28(25)31-18-10-22-36-38(31)32-17-5-8-21-35(32)39(36)33-19-6-3-15-29(33)30-16-4-7-20-34(30)39;39-24-11-9-10-23(22-24)37-29-20-21-33-36(35(29)28-15-4-8-19-34(28)40-37)27-14-3-7-18-32(27)38(33)30-16-5-1-12-25(30)26-13-2-6-17-31(26)38;33-32(34)29-19-8-4-12-22(29)23-14-9-18-28-30(23)24-13-3-7-17-27(24)31(28)25-15-5-1-10-20(25)21-11-2-6-16-26(21)31;32-29-19-8-4-12-22(29)23-14-9-18-28-30(23)24-13-3-7-17-27(24)31(28)25-15-5-1-10-20(25)21-11-2-6-16-26(21)31;26-23-15-7-14-22-24(23)18-10-3-6-13-21(18)25(22)19-11-4-1-8-16(19)17-9-2-5-12-20(17)25;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)18-13(17-11)9-7-5-6-8-10(9)14(15)16;8-6-3-1-2-5(4-6)7(9)10;;/h1-23H,24H2;1-22H;1-19H;1-19H,32H2;1-15H;4*1-15H;5-8H,1-4H3;1-4H;;.

What are the key properties of 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 4082.32 g/mol, XLogP of 60.22, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromobenzoyl chloride;14-(3-bromophenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1-(3-bromophenyl)-2-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]ethanone;4-bromo-9,9'-spirobi[fluorene];iron;4'-(2-nitrophenyl)-9,9'-spirobi[fluorene];palladium;2-(9,9'-spirobi[fluorene]-4'-yl)aniline;4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158445301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).