benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane

C129H145B3Br4I2N18O10Sn — CID 158241035

About benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane

benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane (PubChem CID 158241035) has the molecular formula C129H145B3Br4I2N18O10Sn and a molecular weight of 2832.27 g/mol. Its IUPAC name is benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane.

Molecular Properties

• Compound Name: benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane
• PubChem CID: 158241035
• Molecular Formula: C129H145B3Br4I2N18O10Sn
• Molecular Weight: 2832.27 g/mol
• Exact Mass: 2828.55
• IUPAC Name: benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC[Sn](CCCC)(CCCC)c1ccccn1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(I)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(I)ccc32)cc1.Cc1c(Br)cncc1-c1ccccn1.Cc1c(Br)cncc1-c1ccccn1.Cc1c(Br)cncc1Br.Nc1ccccc1N
• InChI: InChI=1S/C28H29BN4O3.C22H17IN4O.C16H13IN2O2.C12H24B2O4.2C11H9BrN2.C6H5Br2N.C6H8N2.C5H4N.3C4H9.Sn/c1-27(2)28(3,4)36-29(35-27)19-12-15-24-21(16-19)25(26-30-22-8-6-7-9-23(22)31-26)32-33(24)17-18-10-13-20(34-5)14-11-18;1-28-16-9-6-14(7-10-16)13-27-20-11-8-15(23)12-17(20)21(26-27)22-24-18-4-2-3-5-19(18)25-22;1-21-13-5-2-11(3-6-13)9-19-16-7-4-12(17)8-14(16)15(10-20)18-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-8-9(6-13-7-10(8)12)11-4-2-3-5-14-11;1-4-5(7)2-9-3-6(4)8;7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;3*1-3-4-2;/h6-16H,17H2,1-5H3,(H,30,31);2-12H,13H2,1H3,(H,24,25);2-8,10H,9H2,1H3;1-8H3;2*2-7H,1H3;2-3H,1H3;1-4H,7-8H2;1-4H;3*1,3-4H2,2H3
• InChIKey: GFNRYKGOVLWOEA-UHFFFAOYSA-N
• XLogP: 31.27
• TPSA: 340.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2832.27
LogP ≤ 5	31.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane?

The IUPAC name of benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane (CID 158241035) is benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane.

What is the SMILES notation for benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane?

The canonical SMILES for benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC[Sn](CCCC)(CCCC)c1ccccn1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(I)ccc32)cc1.COc1ccc(Cn2nc(C=O)c3cc(I)ccc32)cc1.Cc1c(Br)cncc1-c1ccccn1.Cc1c(Br)cncc1-c1ccccn1.Cc1c(Br)cncc1Br.Nc1ccccc1N.

What is the InChIKey of benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane?

The InChIKey is GFNRYKGOVLWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BN4O3.C22H17IN4O.C16H13IN2O2.C12H24B2O4.2C11H9BrN2.C6H5Br2N.C6H8N2.C5H4N.3C4H9.Sn/c1-27(2)28(3,4)36-29(35-27)19-12-15-24-21(16-19)25(26-30-22-8-6-7-9-23(22)31-26)32-33(24)17-18-10-13-20(34-5)14-11-18;1-28-16-9-6-14(7-10-16)13-27-20-11-8-15(23)12-17(20)21(26-27)22-24-18-4-2-3-5-19(18)25-22;1-21-13-5-2-11(3-6-13)9-19-16-7-4-12(17)8-14(16)15(10-20)18-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-8-9(6-13-7-10(8)12)11-4-2-3-5-14-11;1-4-5(7)2-9-3-6(4)8;7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;3*1-3-4-2;/h6-16H,17H2,1-5H3,(H,30,31);2-12H,13H2,1H3,(H,24,25);2-8,10H,9H2,1H3;1-8H3;2*2-7H,1H3;2-3H,1H3;1-4H,7-8H2;1-4H;3*1,3-4H2,2H3;.

What are the key properties of benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane?

benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane has a molecular weight of 2832.27 g/mol, XLogP of 31.27, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-2-ylpyridine);3,5-dibromo-4-methylpyridine;5-iodo-1-[(4-methoxyphenyl)methyl]indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 158241035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).