1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite

C81H72BBrN15O9P — CID 158672440

IUPAC1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite
SMILESCC1(C)OB(c2cccc3c2nc(-c2ccncc2)n3-c2ccccn2)OC1(C)C.CCOP(OCC)OCC.O=[N+]([O-])c1ccccc1-c1cccc2c1nc(-c1ccncc1)n2-c1ccccn1.O=[N+]([O-])c1ccccc1Br.c1ccc(-n2c(-c3ccncc3)nc3c4c(ccc32)[nH]c2ccccc24)nc1
InChIInChI=1S/C23H23BN4O2.C23H15N5O2.C23H15N5.C6H4BrNO2.C6H15O3P/c1-22(2)23(3,4)30-24(29-22)17-8-7-9-18-20(17)27-21(16-11-14-25-15-12-16)28(18)19-10-5-6-13-26-19;29-28(30)19-8-2-1-6-17(19)18-7-5-9-20-22(18)26-23(16-11-14-24-15-12-16)27(20)21-10-3-4-13-25-21;1-2-6-17-16(5-1)21-18(26-17)8-9-19-22(21)27-23(15-10-13-24-14-11-15)28(19)20-7-3-4-12-25-20;7-5-3-1-2-4-6(5)8(9)10;1-4-7-10(8-5-2)9-6-3/h5-15H,1-4H3;1-15H;1-14,26H;1-4H;4-6H2,1-3H3
InChIKeyIECOEIQIMPPXEO-UHFFFAOYSA-N
MW1521.25 g/mol
LogP18.64
Rot. Bonds16

About 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite

1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite (PubChem CID 158672440) has the molecular formula C81H72BBrN15O9P and a molecular weight of 1521.25 g/mol. Its IUPAC name is 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite.

Molecular Properties

Compound Name1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite
PubChem CID158672440
Molecular FormulaC81H72BBrN15O9P
Molecular Weight1521.25 g/mol
Exact Mass1519.47
IUPAC Name1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite
SMILESCC1(C)OB(c2cccc3c2nc(-c2ccncc2)n3-c2ccccn2)OC1(C)C.CCOP(OCC)OCC.O=[N+]([O-])c1ccccc1-c1cccc2c1nc(-c1ccncc1)n2-c1ccccn1.O=[N+]([O-])c1ccccc1Br.c1ccc(-n2c(-c3ccncc3)nc3c4c(ccc32)[nH]c2ccccc24)nc1
InChIInChI=1S/C23H23BN4O2.C23H15N5O2.C23H15N5.C6H4BrNO2.C6H15O3P/c1-22(2)23(3,4)30-24(29-22)17-8-7-9-18-20(17)27-21(16-11-14-25-15-12-16)28(18)19-10-5-6-13-26-19;29-28(30)19-8-2-1-6-17(19)18-7-5-9-20-22(18)26-23(16-11-14-24-15-12-16)27(20)21-10-3-4-13-25-21;1-2-6-17-16(5-1)21-18(26-17)8-9-19-22(21)27-23(15-10-13-24-14-11-15)28(19)20-7-3-4-12-25-20;7-5-3-1-2-4-6(5)8(9)10;1-4-7-10(8-5-2)9-6-3/h5-15H,1-4H3;1-15H;1-14,26H;1-4H;4-6H2,1-3H3
InChIKeyIECOEIQIMPPXEO-UHFFFAOYSA-N
XLogP18.64
TPSA279.02 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.25
LogP ≤ 518.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

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 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite 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 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite?
The IUPAC name of 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite (CID 158672440) is 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite.
What is the SMILES notation for 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite?
The canonical SMILES for 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite is CC1(C)OB(c2cccc3c2nc(-c2ccncc2)n3-c2ccccn2)OC1(C)C.CCOP(OCC)OCC.O=[N+]([O-])c1ccccc1-c1cccc2c1nc(-c1ccncc1)n2-c1ccccn1.O=[N+]([O-])c1ccccc1Br.c1ccc(-n2c(-c3ccncc3)nc3c4c(ccc32)[nH]c2ccccc24)nc1.
What is the InChIKey of 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite?
The InChIKey is IECOEIQIMPPXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BN4O2.C23H15N5O2.C23H15N5.C6H4BrNO2.C6H15O3P/c1-22(2)23(3,4)30-24(29-22)17-8-7-9-18-20(17)27-21(16-11-14-25-15-12-16)28(18)19-10-5-6-13-26-19;29-28(30)19-8-2-1-6-17(19)18-7-5-9-20-22(18)26-23(16-11-14-24-15-12-16)27(20)21-10-3-4-13-25-21;1-2-6-17-16(5-1)21-18(26-17)8-9-19-22(21)27-23(15-10-13-24-14-11-15)28(19)20-7-3-4-12-25-20;7-5-3-1-2-4-6(5)8(9)10;1-4-7-10(8-5-2)9-6-3/h5-15H,1-4H3;1-15H;1-14,26H;1-4H;4-6H2,1-3H3.
What are the key properties of 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite?
1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite has a molecular weight of 1521.25 g/mol, XLogP of 18.64, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-nitrobenzene;4-(2-nitrophenyl)-1-pyridin-2-yl-2-pyridin-4-ylbenzimidazole;3-pyridin-2-yl-2-pyridin-4-yl-6H-imidazo[4,5-c]carbazole;1-pyridin-2-yl-2-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;triethyl phosphite is sourced from PubChem (CID 158672440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).