2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)

C165H148BBrN2O2P4Pd — CID 157308470

IUPAC2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(-c5ccccn5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.CC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1cc(C(C)(C)C)ccc1-2.CC1(C)OB(c2ccc(-c3ccccn3)cc2)OC1(C)C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H39N.C32H29Br.4C18H15P.C17H20BNO2.Pd/c1-42(2,3)31-19-22-35-36-23-20-32(43(4,5)6)27-40(36)44(39(35)26-31)37-12-8-7-11-33(37)34-21-18-30(25-38(34)44)28-14-16-29(17-15-28)41-13-9-10-24-45-41;1-19(2)20-10-13-24-25-14-11-21(31(3,4)5)17-29(25)32(28(24)16-20)27-9-7-6-8-23(27)26-15-12-22(33)18-30(26)32;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2)17(3,4)21-18(20-16)14-10-8-13(9-11-14)15-7-5-6-12-19-15;/h7-27H,1-6H3;6-19H,1-5H3;4*1-15H;5-12H,1-4H3;
InChIKeyBCTMIFRBVRMOII-UHFFFAOYSA-N
MW2512.04 g/mol
LogP37.39
Rot. Bonds17

About 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)

2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane) (PubChem CID 157308470) has the molecular formula C165H148BBrN2O2P4Pd and a molecular weight of 2512.04 g/mol. Its IUPAC name is 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)
PubChem CID157308470
Molecular FormulaC165H148BBrN2O2P4Pd
Molecular Weight2512.04 g/mol
Exact Mass2508.88
IUPAC Name2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(-c5ccccn5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.CC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1cc(C(C)(C)C)ccc1-2.CC1(C)OB(c2ccc(-c3ccccn3)cc2)OC1(C)C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H39N.C32H29Br.4C18H15P.C17H20BNO2.Pd/c1-42(2,3)31-19-22-35-36-23-20-32(43(4,5)6)27-40(36)44(39(35)26-31)37-12-8-7-11-33(37)34-21-18-30(25-38(34)44)28-14-16-29(17-15-28)41-13-9-10-24-45-41;1-19(2)20-10-13-24-25-14-11-21(31(3,4)5)17-29(25)32(28(24)16-20)27-9-7-6-8-23(27)26-15-12-22(33)18-30(26)32;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2)17(3,4)21-18(20-16)14-10-8-13(9-11-14)15-7-5-6-12-19-15;/h7-27H,1-6H3;6-19H,1-5H3;4*1-15H;5-12H,1-4H3;
InChIKeyBCTMIFRBVRMOII-UHFFFAOYSA-N
XLogP37.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002512.04
LogP ≤ 537.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

2,3-Bis(7-bromo-9,9-dimethylfluoren-2-yl)-6-pyridin-2-ylpyridine
CID 57958528
2-(4-Bromophenyl)-3-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)-6-pyridin-2-ylpyridine
CID 57958530
2,3-Bis(7-bromo-9,9-diphenylfluoren-2-yl)-6-pyridin-2-ylpyridine
CID 57958591
3-(4-Bromophenyl)-2-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)-6-pyridin-2-ylpyridine
CID 57958599
2,3-Bis(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)-6-pyridin-2-ylpyridine
CID 57958623
(9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 58879545
2,5-Dibromopyridine;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;5-methyl-2-(7-methyl-9,9-dioctylfluoren-2-yl)pyridine;bis(triphenylphosphane)
CID 90966057
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;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;tetrakis(triphenylphosphane)
CID 91574420
2-(1,1,2,2,3,3-Hexamethylinden-5-yl)-5-[2-[3-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 141674110
2-(9,9-Dimethylfluoren-2-yl)-5-[2-[3-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 141693340
5-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
CID 142521098
2-Bromo-9,9,10,10-tetramethylanthracene;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157191466

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)?
The IUPAC name of 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane) (CID 157308470) is 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane) is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(-c5ccccn5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.CC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1cc(C(C)(C)C)ccc1-2.CC1(C)OB(c2ccc(-c3ccccn3)cc2)OC1(C)C.[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 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)?
The InChIKey is BCTMIFRBVRMOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N.C32H29Br.4C18H15P.C17H20BNO2.Pd/c1-42(2,3)31-19-22-35-36-23-20-32(43(4,5)6)27-40(36)44(39(35)26-31)37-12-8-7-11-33(37)34-21-18-30(25-38(34)44)28-14-16-29(17-15-28)41-13-9-10-24-45-41;1-19(2)20-10-13-24-25-14-11-21(31(3,4)5)17-29(25)32(28(24)16-20)27-9-7-6-8-23(27)26-15-12-22(33)18-30(26)32;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2)17(3,4)21-18(20-16)14-10-8-13(9-11-14)15-7-5-6-12-19-15;/h7-27H,1-6H3;6-19H,1-5H3;4*1-15H;5-12H,1-4H3;.
What are the key properties of 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)?
2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane) has a molecular weight of 2512.04 g/mol, XLogP of 37.39, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157308470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).