2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C152H104ClN31O4 — CID 159503134

About 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 159503134) has the molecular formula C152H104ClN31O4 and a molecular weight of 2464.17 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

• Compound Name: 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• PubChem CID: 159503134
• Molecular Formula: C152H104ClN31O4
• Molecular Weight: 2464.17 g/mol
• Exact Mass: 2461.86
• IUPAC Name: 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• SMILES: CC(C)(C)c1[nH]c2ccccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.COn1c(-c2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Clc1ccc2[nH]cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1.c1ccc(COc2cccc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c[nH]c23)cc1.c1ccc(Cn2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc32)cc1
• InChI: InChI=1S/2C28H19N5O.C28H19N5.C25H21N5.C22H14N6O2.C21H12ClN5/c1-34-33-21-14-6-5-11-18(21)22(27(33)17-9-3-2-4-10-17)28-31-25-19-12-7-15-29-23(19)24-20(26(25)32-28)13-8-16-30-24;1-2-7-17(8-3-1)16-34-22-12-4-9-18-21(15-31-23(18)22)28-32-26-19-10-5-13-29-24(19)25-20(27(26)33-28)11-6-14-30-25;1-2-8-18(9-3-1)16-33-17-22(19-10-4-5-13-23(19)33)28-31-26-20-11-6-14-29-24(20)25-21(27(26)32-28)12-7-15-30-25;1-25(2,3)23-18(14-8-4-5-11-17(14)28-23)24-29-21-15-9-6-12-26-19(15)20-16(22(21)30-24)10-7-13-27-20;1-11-17(15-10-12(28(29)30)6-7-16(15)25-11)22-26-20-13-4-2-8-23-18(13)19-14(21(20)27-22)5-3-9-24-19;22-11-5-6-16-14(9-11)15(10-25-16)21-26-19-12-3-1-7-23-17(12)18-13(20(19)27-21)4-2-8-24-18/h2-16H,1H3,(H,31,32);1-15,31H,16H2,(H,32,33);1-15,17H,16H2,(H,31,32);4-13,28H,1-3H3,(H,29,30);2-10,25H,1H3,(H,26,27);1-10,25H,(H,26,27)
• InChIKey: LZQJPEXAYUGWLI-UHFFFAOYSA-N
• XLogP: 35.31
• TPSA: 461.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2464.17
LogP ≤ 5	35.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The IUPAC name of 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 159503134) is 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

What is the SMILES notation for 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The canonical SMILES for 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is CC(C)(C)c1[nH]c2ccccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.COn1c(-c2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Clc1ccc2[nH]cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1.c1ccc(COc2cccc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c[nH]c23)cc1.c1ccc(Cn2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc32)cc1.

What is the InChIKey of 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The InChIKey is LZQJPEXAYUGWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H19N5O.C28H19N5.C25H21N5.C22H14N6O2.C21H12ClN5/c1-34-33-21-14-6-5-11-18(21)22(27(33)17-9-3-2-4-10-17)28-31-25-19-12-7-15-29-23(19)24-20(26(25)32-28)13-8-16-30-24;1-2-7-17(8-3-1)16-34-22-12-4-9-18-21(15-31-23(18)22)28-32-26-19-10-5-13-29-24(19)25-20(27(26)33-28)11-6-14-30-25;1-2-8-18(9-3-1)16-33-17-22(19-10-4-5-13-23(19)33)28-31-26-20-11-6-14-29-24(20)25-21(27(26)32-28)12-7-15-30-25;1-25(2,3)23-18(14-8-4-5-11-17(14)28-23)24-29-21-15-9-6-12-26-19(15)20-16(22(21)30-24)10-7-13-27-20;1-11-17(15-10-12(28(29)30)6-7-16(15)25-11)22-26-20-13-4-2-8-23-18(13)19-14(21(20)27-22)5-3-9-24-19;22-11-5-6-16-14(9-11)15(10-25-16)21-26-19-12-3-1-7-23-17(12)18-13(20(19)27-21)4-2-8-24-18/h2-16H,1H3,(H,31,32);1-15,31H,16H2,(H,32,33);1-15,17H,16H2,(H,31,32);4-13,28H,1-3H3,(H,29,30);2-10,25H,1H3,(H,26,27);1-10,25H,(H,26,27).

What are the key properties of 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 2464.17 g/mol, XLogP of 35.31, 14 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-tert-butyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-chloro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-5-nitro-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 159503134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).