dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C91H69BBrK2N4O5+ — CID 157108337

IUPACdipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=CO[O-].[CH2+]C1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)OC1(C)C.[H-].[K+].[K+].c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C42H28N2.C30H27BNO2.C18H12BrN.CH2O3.2K.H/c1-3-14-33(15-4-1)43-39-20-9-7-18-35(39)37-27-31(22-24-41(37)43)29-12-11-13-30(26-29)32-23-25-42-38(28-32)36-19-8-10-21-40(36)44(42)34-16-5-2-6-17-34;1-29(2)30(3,4)34-31(33-29)23-12-10-11-21(19-23)22-17-18-28-26(20-22)25-15-8-9-16-27(25)32(28)24-13-6-5-7-14-24;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;2-1-4-3;;;/h1-28H;5-20H,1H2,2-4H3;1-12H;1,3H;;;/q;+1;;;2*+1;-1/p-1
InChIKeyNTSSSOFQTKPWJP-UHFFFAOYSA-M
MW1467.49 g/mol
LogP15.88
Rot. Bonds9

About dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 157108337) has the molecular formula C91H69BBrK2N4O5+ and a molecular weight of 1467.49 g/mol. Its IUPAC name is dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Namedipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID157108337
Molecular FormulaC91H69BBrK2N4O5+
Molecular Weight1467.49 g/mol
Exact Mass1465.38
IUPAC Namedipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=CO[O-].[CH2+]C1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)OC1(C)C.[H-].[K+].[K+].c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C42H28N2.C30H27BNO2.C18H12BrN.CH2O3.2K.H/c1-3-14-33(15-4-1)43-39-20-9-7-18-35(39)37-27-31(22-24-41(37)43)29-12-11-13-30(26-29)32-23-25-42-38(28-32)36-19-8-10-21-40(36)44(42)34-16-5-2-6-17-34;1-29(2)30(3,4)34-31(33-29)23-12-10-11-21(19-23)22-17-18-28-26(20-22)25-15-8-9-16-27(25)32(28)24-13-6-5-7-14-24;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;2-1-4-3;;;/h1-28H;5-20H,1H2,2-4H3;1-12H;1,3H;;;/q;+1;;;2*+1;-1/p-1
InChIKeyNTSSSOFQTKPWJP-UHFFFAOYSA-M
XLogP15.88
TPSA87.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001467.49
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[4-(6,9-diphenylcarbazol-3-yl)-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 58113384
12-(4-Bromophenyl)-5-[4-(1,3,2-dioxaborolan-2-yl)phenyl]indolo[3,2-c]carbazole
CID 123152663
5-(4-Bromophenyl)-7-[4-(1,3,2-dioxaborolan-2-yl)phenyl]indolo[2,3-b]carbazole
CID 123212171
5-(4-Bromophenyl)-12-[4-(1,3,2-dioxaborolan-2-yl)phenyl]indolo[3,2-c]carbazole
CID 123320189
CID 157058367
CID 157058367
5-Bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 157069896
5,7-Bis(4-hexylphenyl)-2,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[2,3-b]carbazole;3,6-dibromo-9-(4-hexylphenyl)carbazole
CID 157070297
9-(3-Bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 157078514
3-Bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)
CID 157083258
3-Bromo-9-phenylcarbazole;(9-naphthalen-2-ylcarbazol-3-yl)boronic acid;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 157092126
9-(2-Bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 157097942
3-bromo-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-N-phenylaniline;9-(4-phenylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157113827

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 157108337) is dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=CO[O-].[CH2+]C1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)OC1(C)C.[H-].[K+].[K+].c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1.
What is the InChIKey of dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is NTSSSOFQTKPWJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C42H28N2.C30H27BNO2.C18H12BrN.CH2O3.2K.H/c1-3-14-33(15-4-1)43-39-20-9-7-18-35(39)37-27-31(22-24-41(37)43)29-12-11-13-30(26-29)32-23-25-42-38(28-32)36-19-8-10-21-40(36)44(42)34-16-5-2-6-17-34;1-29(2)30(3,4)34-31(33-29)23-12-10-11-21(19-23)22-17-18-28-26(20-22)25-15-8-9-16-27(25)32(28)24-13-6-5-7-14-24;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;2-1-4-3;;;/h1-28H;5-20H,1H2,2-4H3;1-12H;1,3H;;;/q;+1;;;2*+1;-1/p-1.
What are the key properties of dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 1467.49 g/mol, XLogP of 15.88, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 157108337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).