azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate

C137H128B2Br2Cl4N14O14P2 — CID 158814777

IUPACazane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate
SMILESBrc1ccccc1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOP(OCC)OCC.Clc1cc2c(nc(-c3ccccc3)n2-c2ccccc2)c2c1[nH]c1ccccc12.Clc1cc2c(nc(-c3ccccc3)n2-c2ccccc2)c2c3ccccc3n(-c3ccccc3)c12.N.O.O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2c1nc(-c1ccccc1)n2-c1ccccc1.O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2c1nc(-c1ccccc1)n2-c1ccccc1.O=[N+]([O-])c1ccccc1Br.P
InChIInChI=1S/C31H20ClN3.2C25H16ClN3O2.C25H16ClN3.C12H24B2O4.C6H4BrNO2.C6H5Br.C6H15O3P.CH4.H3N.H2O.H3P/c32-25-20-27-29(33-31(21-12-4-1-5-13-21)35(27)23-16-8-3-9-17-23)28-24-18-10-11-19-26(24)34(30(25)28)22-14-6-2-7-15-22;2*26-18-15-21(20-13-7-8-14-22(20)29(30)31)24-23(16-18)28(19-11-5-2-6-12-19)25(27-24)17-9-3-1-4-10-17;26-19-15-21-24(22-18-13-7-8-14-20(18)27-23(19)22)28-25(16-9-3-1-4-10-16)29(21)17-11-5-2-6-12-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-3-1-2-4-6(5)8(9)10;7-6-4-2-1-3-5-6;1-4-7-10(8-5-2)9-6-3;;;;/h1-20H;2*1-16H;1-15,27H;1-8H3;1-4H;1-5H;4-6H2,1-3H3;1H4;1H3;1H2;1H3
InChIKeyUUEGDDRFOQLRNX-UHFFFAOYSA-N
MW2579.81 g/mol
LogP38.68
Rot. Bonds21

About azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate

azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate (PubChem CID 158814777) has the molecular formula C137H128B2Br2Cl4N14O14P2 and a molecular weight of 2579.81 g/mol. Its IUPAC name is azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate.

Molecular Properties

Compound Nameazane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate
PubChem CID158814777
Molecular FormulaC137H128B2Br2Cl4N14O14P2
Molecular Weight2579.81 g/mol
Exact Mass2574.65
IUPAC Nameazane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate
SMILESBrc1ccccc1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOP(OCC)OCC.Clc1cc2c(nc(-c3ccccc3)n2-c2ccccc2)c2c1[nH]c1ccccc12.Clc1cc2c(nc(-c3ccccc3)n2-c2ccccc2)c2c3ccccc3n(-c3ccccc3)c12.N.O.O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2c1nc(-c1ccccc1)n2-c1ccccc1.O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2c1nc(-c1ccccc1)n2-c1ccccc1.O=[N+]([O-])c1ccccc1Br.P
InChIInChI=1S/C31H20ClN3.2C25H16ClN3O2.C25H16ClN3.C12H24B2O4.C6H4BrNO2.C6H5Br.C6H15O3P.CH4.H3N.H2O.H3P/c32-25-20-27-29(33-31(21-12-4-1-5-13-21)35(27)23-16-8-3-9-17-23)28-24-18-10-11-19-26(24)34(30(25)28)22-14-6-2-7-15-22;2*26-18-15-21(20-13-7-8-14-22(20)29(30)31)24-23(16-18)28(19-11-5-2-6-12-19)25(27-24)17-9-3-1-4-10-17;26-19-15-21-24(22-18-13-7-8-14-20(18)27-23(19)22)28-25(16-9-3-1-4-10-16)29(21)17-11-5-2-6-12-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-3-1-2-4-6(5)8(9)10;7-6-4-2-1-3-5-6;1-4-7-10(8-5-2)9-6-3;;;;/h1-20H;2*1-16H;1-15,27H;1-8H3;1-4H;1-5H;4-6H2,1-3H3;1H4;1H3;1H2;1H3
InChIKeyUUEGDDRFOQLRNX-UHFFFAOYSA-N
XLogP38.68
TPSA352.53 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002579.81
LogP ≤ 538.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate?
The IUPAC name of azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate (CID 158814777) is azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate.
What is the SMILES notation for azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate?
The canonical SMILES for azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate is Brc1ccccc1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOP(OCC)OCC.Clc1cc2c(nc(-c3ccccc3)n2-c2ccccc2)c2c1[nH]c1ccccc12.Clc1cc2c(nc(-c3ccccc3)n2-c2ccccc2)c2c3ccccc3n(-c3ccccc3)c12.N.O.O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2c1nc(-c1ccccc1)n2-c1ccccc1.O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2c1nc(-c1ccccc1)n2-c1ccccc1.O=[N+]([O-])c1ccccc1Br.P.
What is the InChIKey of azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate?
The InChIKey is UUEGDDRFOQLRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3.2C25H16ClN3O2.C25H16ClN3.C12H24B2O4.C6H4BrNO2.C6H5Br.C6H15O3P.CH4.H3N.H2O.H3P/c32-25-20-27-29(33-31(21-12-4-1-5-13-21)35(27)23-16-8-3-9-17-23)28-24-18-10-11-19-26(24)34(30(25)28)22-14-6-2-7-15-22;2*26-18-15-21(20-13-7-8-14-22(20)29(30)31)24-23(16-18)28(19-11-5-2-6-12-19)25(27-24)17-9-3-1-4-10-17;26-19-15-21-24(22-18-13-7-8-14-20(18)27-23(19)22)28-25(16-9-3-1-4-10-16)29(21)17-11-5-2-6-12-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-3-1-2-4-6(5)8(9)10;7-6-4-2-1-3-5-6;1-4-7-10(8-5-2)9-6-3;;;;/h1-20H;2*1-16H;1-15,27H;1-8H3;1-4H;1-5H;4-6H2,1-3H3;1H4;1H3;1H2;1H3.
What are the key properties of azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate?
azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate has a molecular weight of 2579.81 g/mol, XLogP of 38.68, 21 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bromobenzene;1-bromo-2-nitrobenzene;5-chloro-2,3-diphenyl-6H-imidazo[4,5-c]carbazole;bis(6-chloro-4-(2-nitrophenyl)-1,2-diphenylbenzimidazole);5-chloro-2,3,6-triphenylimidazo[4,5-c]carbazole;methane;phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triethyl phosphite;hydrate is sourced from PubChem (CID 158814777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).