5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine

C94H64Br4N16 — CID 161315823

About 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine

5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine (PubChem CID 161315823) has the molecular formula C94H64Br4N16 and a molecular weight of 1737.27 g/mol. Its IUPAC name is 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine.

Molecular Properties

• Compound Name: 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine
• PubChem CID: 161315823
• Molecular Formula: C94H64Br4N16
• Molecular Weight: 1737.27 g/mol
• Exact Mass: 1732.22
• IUPAC Name: 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine
• SMILES: Brc1ccc2c3ccc(Br)cc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccc(N)cc3c2[nH]1.Nc1ccc2c3ccc(N)cc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
• InChI: InChI=1S/C24H15Br2N3.C24H19N5.C23H13Br2N3.C23H17N5/c2*1-12-21(17-4-2-3-5-20(17)27-12)24-28-22-18-10-13(25)6-8-15(18)16-9-7-14(26)11-19(16)23(22)29-24;2*24-12-5-7-14-15-8-6-13(25)10-18(15)22-21(17(14)9-12)27-23(28-22)19-11-26-20-4-2-1-3-16(19)20/h2-11,27H,1H3,(H,28,29);2-11,27H,25-26H2,1H3,(H,28,29);1-11,26H,(H,27,28);1-11,26H,24-25H2,(H,27,28)
• InChIKey: VJMBZUFYYFVNEV-UHFFFAOYSA-N
• XLogP: 26.07
• TPSA: 281.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1737.27
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine?

The IUPAC name of 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine (CID 161315823) is 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine.

What is the SMILES notation for 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine?

The canonical SMILES for 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine is Brc1ccc2c3ccc(Br)cc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccc(N)cc3c2[nH]1.Nc1ccc2c3ccc(N)cc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.

What is the InChIKey of 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine?

The InChIKey is VJMBZUFYYFVNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Br2N3.C24H19N5.C23H13Br2N3.C23H17N5/c2*1-12-21(17-4-2-3-5-20(17)27-12)24-28-22-18-10-13(25)6-8-15(18)16-9-7-14(26)11-19(16)23(22)29-24;2*24-12-5-7-14-15-8-6-13(25)10-18(15)22-21(17(14)9-12)27-23(28-22)19-11-26-20-4-2-1-3-16(19)20/h2-11,27H,1H3,(H,28,29);2-11,27H,25-26H2,1H3,(H,28,29);1-11,26H,(H,27,28);1-11,26H,24-25H2,(H,27,28).

What are the key properties of 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine?

5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine has a molecular weight of 1737.27 g/mol, XLogP of 26.07, 4 rotatable bonds, 12 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-dibromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine is sourced from PubChem (CID 161315823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).