1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen

C112H76Br2ClN17 — CID 157459197

About 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen

1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen (PubChem CID 157459197) has the molecular formula C112H76Br2ClN17 and a molecular weight of 1855.22 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen
• PubChem CID: 157459197
• Molecular Formula: C112H76Br2ClN17
• Molecular Weight: 1855.22 g/mol
• Exact Mass: 1851.45
• IUPAC Name: 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen
• SMILES: Cc1[nH]c2ccccc2c1-c1nc2c3cc(NCc4c[nH]c5ccc(Br)cc45)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3ccc(/N=C/c4c[nH]c5ccc(Br)cc45)cc3c2[nH]1.Clc1nc2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.[H][H].c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)n[nH]c2c1
• InChI: InChI=1S/C33H24BrN5.C33H22BrN5.C24H14ClN3.C22H14N4.H2/c2*1-18-30(25-8-4-5-9-29(25)37-18)33-38-31-24-7-3-2-6-22(24)23-12-11-21(15-27(23)32(31)39-33)35-16-19-17-36-28-13-10-20(34)14-26(19)28;25-23-19(13-14-7-1-6-12-20(14)26-23)24-27-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)28-24;1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)23-22(24-20)21-17-11-5-6-12-18(17)25-26-21;/h2-15,17,35-37H,16H2,1H3,(H,38,39);2-17,36-37H,1H3,(H,38,39);1-13H,(H,27,28);1-12H,(H,23,24)(H,25,26);1H/b;35-16+
• InChIKey: BTSMIQDYFWCDKE-POOHDRPTSA-N
• XLogP: 30.90
• TPSA: 243.84 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.22
LogP ≤ 5	30.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen?

The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen (CID 157459197) is 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen.

What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen?

The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen is Cc1[nH]c2ccccc2c1-c1nc2c3cc(NCc4c[nH]c5ccc(Br)cc45)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3ccc(/N=C/c4c[nH]c5ccc(Br)cc45)cc3c2[nH]1.Clc1nc2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.[H][H].c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)n[nH]c2c1.

What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen?

The InChIKey is BTSMIQDYFWCDKE-POOHDRPTSA-N. The full InChI is InChI=1S/C33H24BrN5.C33H22BrN5.C24H14ClN3.C22H14N4.H2/c2*1-18-30(25-8-4-5-9-29(25)37-18)33-38-31-24-7-3-2-6-22(24)23-12-11-21(15-27(23)32(31)39-33)35-16-19-17-36-28-13-10-20(34)14-26(19)28;25-23-19(13-14-7-1-6-12-20(14)26-23)24-27-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)28-24;1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)23-22(24-20)21-17-11-5-6-12-18(17)25-26-21;/h2-15,17,35-37H,16H2,1H3,(H,38,39);2-17,36-37H,1H3,(H,38,39);1-13H,(H,27,28);1-12H,(H,23,24)(H,25,26);1H/b;35-16+;;;.

What are the key properties of 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen?

1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen has a molecular weight of 1855.22 g/mol, XLogP of 30.90, 9 rotatable bonds, 10 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(2-chloroquinolin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indazol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen is sourced from PubChem (CID 157459197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).