3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

C106H74Br4N12 — CID 157925021

About 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 157925021) has the molecular formula C106H74Br4N12 and a molecular weight of 1835.40 g/mol. Its IUPAC name is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

• Compound Name: 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• PubChem CID: 157925021
• Molecular Formula: C106H74Br4N12
• Molecular Weight: 1835.40 g/mol
• Exact Mass: 1835.29
• IUPAC Name: 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• SMILES: CC1=C(C2=CC=CC=C2N1)C3=NC(=C(N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5.CC1=C(C2=CC=CC=C2N1)C3=NC4=C(N3)C5=CC=CC=C5C6=CC=CC=C64.C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(N=C(N3)C4=CNC5=C4C=C(C=C5)Br)C6=CC=C(C=C6)C7=CC=CC=C7.C1=CC=C(C=C1)C2=C(NC(=N2)C3=CNC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)Br
• InChI: InChI=1S/C35H24BrN3.C24H18BrN3.C24H17N3.C23H15Br2N3/c36-29-19-20-32-30(21-29)31(22-37-32)35-38-33(27-15-11-25(12-16-27)23-7-3-1-4-8-23)34(39-35)28-17-13-26(14-18-28)24-9-5-2-6-10-24;1-15-21(19-9-5-6-10-20(19)26-15)24-27-22(16-7-3-2-4-8-16)23(28-24)17-11-13-18(25)14-12-17;1-14-21(19-12-6-7-13-20(19)25-14)24-26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)23(22)27-24;24-16-8-6-15(7-9-16)22-21(14-4-2-1-3-5-14)27-23(28-22)19-13-26-20-11-10-17(25)12-18(19)20/h1-22,37H,(H,38,39);2-14,26H,1H3,(H,27,28);2-13,25H,1H3,(H,26,27);1-13,26H,(H,27,28)
• InChIKey: DUYQJQDMILIGGT-UHFFFAOYSA-N
• XLogP: —
• TPSA: 178.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: 2340

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1835.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The IUPAC name of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 157925021) is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

What is the SMILES notation for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The canonical SMILES for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is CC1=C(C2=CC=CC=C2N1)C3=NC(=C(N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5.CC1=C(C2=CC=CC=C2N1)C3=NC4=C(N3)C5=CC=CC=C5C6=CC=CC=C64.C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(N=C(N3)C4=CNC5=C4C=C(C=C5)Br)C6=CC=C(C=C6)C7=CC=CC=C7.C1=CC=C(C=C1)C2=C(NC(=N2)C3=CNC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)Br.

What is the InChIKey of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The InChIKey is DUYQJQDMILIGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24BrN3.C24H18BrN3.C24H17N3.C23H15Br2N3/c36-29-19-20-32-30(21-29)31(22-37-32)35-38-33(27-15-11-25(12-16-27)23-7-3-1-4-8-23)34(39-35)28-17-13-26(14-18-28)24-9-5-2-6-10-24;1-15-21(19-9-5-6-10-20(19)26-15)24-27-22(16-7-3-2-4-8-16)23(28-24)17-11-13-18(25)14-12-17;1-14-21(19-12-6-7-13-20(19)25-14)24-26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)23(22)27-24;24-16-8-6-15(7-9-16)22-21(14-4-2-1-3-5-14)27-23(28-22)19-13-26-20-11-10-17(25)12-18(19)20/h1-22,37H,(H,38,39);2-14,26H,1H3,(H,27,28);2-13,25H,1H3,(H,26,27);1-13,26H,(H,27,28).

What are the key properties of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 1835.40 g/mol, XLogP of not available, 12 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 157925021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).