bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine

C74H91BBrN2O4P27S2 — CID 161179277

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4sc5ccccc5c(=O)c4c3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c2ccccc21.O=c1c2ccccc2sc2ccc(Br)cc12.PPP(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C34H25NOS.C27H30BNO2.C13H7BrOS.H29P27/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)23-17-20-32-26(21-23)33(36)25-9-3-8-14-31(25)37-32;1-25(2)21-11-7-9-13-23(21)29(24-14-10-8-12-22(24)25)20-17-15-19(16-18-20)28-30-26(3,4)27(5,6)31-28;14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;1-15-22(14)26(23(16(2)3)17(4)5)27(24(18(6)7)19(8)9)25(20(10)11)21(12)13/h3-21H,1-2H3;7-18H,1-6H3;1-7H;15H,1-14H2
InChIKeyUSFOCTGKCNHXLS-UHFFFAOYSA-N
MW2063.70 g/mol
LogP34.95
Rot. Bonds16

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine (PubChem CID 161179277) has the molecular formula C74H91BBrN2O4P27S2 and a molecular weight of 2063.70 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine
PubChem CID161179277
Molecular FormulaC74H91BBrN2O4P27S2
Molecular Weight2063.70 g/mol
Exact Mass2061.86
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4sc5ccccc5c(=O)c4c3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c2ccccc21.O=c1c2ccccc2sc2ccc(Br)cc12.PPP(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C34H25NOS.C27H30BNO2.C13H7BrOS.H29P27/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)23-17-20-32-26(21-23)33(36)25-9-3-8-14-31(25)37-32;1-25(2)21-11-7-9-13-23(21)29(24-14-10-8-12-22(24)25)20-17-15-19(16-18-20)28-30-26(3,4)27(5,6)31-28;14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;1-15-22(14)26(23(16(2)3)17(4)5)27(24(18(6)7)19(8)9)25(20(10)11)21(12)13/h3-21H,1-2H3;7-18H,1-6H3;1-7H;15H,1-14H2
InChIKeyUSFOCTGKCNHXLS-UHFFFAOYSA-N
XLogP34.95
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002063.70
LogP ≤ 534.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-(4-carbazol-9-ylphenyl)thioxanthen-9-one;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 160811691
2,6-bis[4-(N-phenylanilino)phenyl]thioxanthen-9-one;2,6-dibromothioxanthen-9-one;N,N-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 157209592
2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one
CID 144622595
3-(8-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-phenyl-3-[8-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]carbazole
CID 159896388
bis[bis(phosphanyl)phosphanyl]-[diphosphanyl(phosphanyl)phosphanyl]phosphane;3-bromo-9-phenylcarbazole;3-(7,7-dimethylxantheno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;2-(7,7-dimethylxantheno[5,6-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161462130
9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 158091716
2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine
CID 144592139
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
2-bromo-7-phenylthioxanthen-9-one
CID 123137766
3-(13,13-dimethyl-[1]benzothiolo[3,2-a]acridin-8-yl)-6-phenylxanthen-9-one
CID 146175903
9,9-dimethyl-10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
CID 71007069
9,9-dimethyl-10-[4-(9-methylcarbazol-3-yl)phenyl]acridine
CID 130353436

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine (CID 161179277) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine is CC1(C)c2ccccc2N(c2ccc(-c3ccc4sc5ccccc5c(=O)c4c3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c2ccccc21.O=c1c2ccccc2sc2ccc(Br)cc12.PPP(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine?
The InChIKey is USFOCTGKCNHXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NOS.C27H30BNO2.C13H7BrOS.H29P27/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)23-17-20-32-26(21-23)33(36)25-9-3-8-14-31(25)37-32;1-25(2)21-11-7-9-13-23(21)29(24-14-10-8-12-22(24)25)20-17-15-19(16-18-20)28-30-26(3,4)27(5,6)31-28;14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;1-15-22(14)26(23(16(2)3)17(4)5)27(24(18(6)7)19(8)9)25(20(10)11)21(12)13/h3-21H,1-2H3;7-18H,1-6H3;1-7H;15H,1-14H2.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine has a molecular weight of 2063.70 g/mol, XLogP of 34.95, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;9,9-dimethyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine is sourced from PubChem (CID 161179277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).