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

C84H79BBrN2O6P11 — CID 161462130

IUPACbis[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
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Oc2c1ccc1c2oc2ccccc21.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Oc2c1ccc1c2oc2ccccc21.PPP(P)P(P(P)P)P(P)P
InChIInChI=1S/C39H27NO2.C27H27BO4.C18H12BrN.H13P11/c1-39(2)31-19-18-29-28-13-7-9-15-35(28)41-37(29)38(31)42-36-21-17-25(23-32(36)39)24-16-20-34-30(22-24)27-12-6-8-14-33(27)40(34)26-10-4-3-5-11-26;1-25(2)19-13-12-18-17-9-7-8-10-21(17)29-23(18)24(19)30-22-14-11-16(15-20(22)25)28-31-26(3,4)27(5,6)32-28;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;1-7-10(6)11(8(2)3)9(4)5/h3-23H,1-2H3;7-15H,1-6H3;1-12H;7H,1-6H2
InChIKeyWBYKWYXGBCHVBQ-UHFFFAOYSA-N
MW1643.99 g/mol
LogP28.64
Rot. Bonds8

About 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

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 (PubChem CID 161462130) has the molecular formula C84H79BBrN2O6P11 and a molecular weight of 1643.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis[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
PubChem CID161462130
Molecular FormulaC84H79BBrN2O6P11
Molecular Weight1643.99 g/mol
Exact Mass1642.23
IUPAC Namebis[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
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Oc2c1ccc1c2oc2ccccc21.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Oc2c1ccc1c2oc2ccccc21.PPP(P)P(P(P)P)P(P)P
InChIInChI=1S/C39H27NO2.C27H27BO4.C18H12BrN.H13P11/c1-39(2)31-19-18-29-28-13-7-9-15-35(28)41-37(29)38(31)42-36-21-17-25(23-32(36)39)24-16-20-34-30(22-24)27-12-6-8-14-33(27)40(34)26-10-4-3-5-11-26;1-25(2)19-13-12-18-17-9-7-8-10-21(17)29-23(18)24(19)30-22-14-11-16(15-20(22)25)28-31-26(3,4)27(5,6)32-28;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;1-7-10(6)11(8(2)3)9(4)5/h3-23H,1-2H3;7-15H,1-6H3;1-12H;7H,1-6H2
InChIKeyWBYKWYXGBCHVBQ-UHFFFAOYSA-N
XLogP28.64
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001643.99
LogP ≤ 528.64
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'}

Analyze 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 with MolForge

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Related Compounds

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
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
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
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
ethane;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;5,14,23-tribromo-9,9,18,18,27,27-hexamethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 162017158
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
3-(7,7-dimethylxantheno[5,6-b][1]benzofuran-9-yl)-9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]carbazole
CID 138510116
3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 159493600
3-[9-(3-bromophenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158893263
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 167711834

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Oc2c1ccc1c2oc2ccccc21.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Oc2c1ccc1c2oc2ccccc21.PPP(P)P(P(P)P)P(P)P.
What is the InChIKey of 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?
The InChIKey is WBYKWYXGBCHVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO2.C27H27BO4.C18H12BrN.H13P11/c1-39(2)31-19-18-29-28-13-7-9-15-35(28)41-37(29)38(31)42-36-21-17-25(23-32(36)39)24-16-20-34-30(22-24)27-12-6-8-14-33(27)40(34)26-10-4-3-5-11-26;1-25(2)19-13-12-18-17-9-7-8-10-21(17)29-23(18)24(19)30-22-14-11-16(15-20(22)25)28-31-26(3,4)27(5,6)32-28;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;1-7-10(6)11(8(2)3)9(4)5/h3-23H,1-2H3;7-15H,1-6H3;1-12H;7H,1-6H2.
What are the key properties of 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?
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 has a molecular weight of 1643.99 g/mol, XLogP of 28.64, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161462130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).