2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine

C94H67Br5N16 — CID 158758481

About 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine

2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine (PubChem CID 158758481) has the molecular formula C94H67Br5N16 and a molecular weight of 1820.20 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine.

Molecular Properties

• Compound Name: 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine
• PubChem CID: 158758481
• Molecular Formula: C94H67Br5N16
• Molecular Weight: 1820.20 g/mol
• Exact Mass: 1814.17
• IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-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]c2ccccc2c1C1=NC2c3cc(N)ccc3-c3ccc(N)cc3C2N1.Nc1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc(N)ccc1-2
• InChI: InChI=1S/C24H15Br2N3.C24H21N5.C23H13Br2N3.C23H18BrN5/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;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;24-11-1-6-20-16(7-11)19(10-27-20)23-28-21-17-8-12(25)2-4-14(17)15-5-3-13(26)9-18(15)22(21)29-23/h2-11,27H,1H3,(H,28,29);2-11,22-23,27H,25-26H2,1H3,(H,28,29);1-11,26H,(H,27,28);1-10,21-22,27H,25-26H2,(H,28,29)
• InChIKey: IOJGEFNCZMXMOT-UHFFFAOYSA-N
• XLogP: 24.75
• TPSA: 273.38 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1820.20
LogP ≤ 5	24.75
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	10

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 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine?

The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine (CID 158758481) is 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine.

What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine?

The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-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]c2ccccc2c1C1=NC2c3cc(N)ccc3-c3ccc(N)cc3C2N1.Nc1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc(N)ccc1-2.

What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine?

The InChIKey is IOJGEFNCZMXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Br2N3.C24H21N5.C23H13Br2N3.C23H18BrN5/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;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;24-11-1-6-20-16(7-11)19(10-27-20)23-28-21-17-8-12(25)2-4-14(17)15-5-3-13(26)9-18(15)22(21)29-23/h2-11,27H,1H3,(H,28,29);2-11,22-23,27H,25-26H2,1H3,(H,28,29);1-11,26H,(H,27,28);1-10,21-22,27H,25-26H2,(H,28,29).

What are the key properties of 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine?

2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine has a molecular weight of 1820.20 g/mol, XLogP of 24.75, 4 rotatable bonds, 12 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-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-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine is sourced from PubChem (CID 158758481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).