1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole

C115H112N18O — CID 158407902

About 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole

1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole (PubChem CID 158407902) has the molecular formula C115H112N18O and a molecular weight of 1762.29 g/mol. Its IUPAC name is 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole.

Molecular Properties

• Compound Name: 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole
• PubChem CID: 158407902
• Molecular Formula: C115H112N18O
• Molecular Weight: 1762.29 g/mol
• Exact Mass: 1760.93
• IUPAC Name: 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole
• SMILES: CC(C)C1=NC=C(c2ccc3c(c2)c2ccoc2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c(c2)c2cnn(C)c2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4c(ncn4C)c3c2)C1.CC(C)C1=NC=C(c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4nc[nH]c4c3c2)C1
• InChI: InChI=1S/2C29H29N5.C29H27N3O.C28H27N5/c1-16(2)26-12-20(13-30-26)18-6-8-21-22-9-7-19(27-15-31-29(33-27)17(3)4)11-24(22)28-25(23(21)10-18)14-32-34(28)5;1-16(2)25-12-20(13-30-25)18-6-8-21-22-9-7-19(26-14-31-29(33-26)17(3)4)11-24(22)28-27(23(21)10-18)32-15-34(28)5;1-16(2)26-13-20(14-30-26)18-5-7-21-22-8-6-19(27-15-31-29(32-27)17(3)4)12-25(22)28-23(9-10-33-28)24(21)11-18;1-15(2)24-11-19(12-29-24)17-5-7-20-21-8-6-18(25-13-30-28(33-25)16(3)4)10-23(21)27-26(22(20)9-17)31-14-32-27/h2*6-11,13-17H,12H2,1-5H3,(H,31,33);5-12,14-17H,13H2,1-4H3,(H,31,32);5-10,12-16H,11H2,1-4H3,(H,30,33)(H,31,32)
• InChIKey: GYXVKKRPYMIQEQ-UHFFFAOYSA-N
• XLogP: 29.79
• TPSA: 241.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.29
LogP ≤ 5	29.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole?

The IUPAC name of 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole (CID 158407902) is 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole.

What is the SMILES notation for 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole?

The canonical SMILES for 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole is CC(C)C1=NC=C(c2ccc3c(c2)c2ccoc2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c(c2)c2cnn(C)c2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4c(ncn4C)c3c2)C1.CC(C)C1=NC=C(c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4nc[nH]c4c3c2)C1.

What is the InChIKey of 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole?

The InChIKey is GYXVKKRPYMIQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H29N5.C29H27N3O.C28H27N5/c1-16(2)26-12-20(13-30-26)18-6-8-21-22-9-7-19(27-15-31-29(33-27)17(3)4)11-24(22)28-25(23(21)10-18)14-32-34(28)5;1-16(2)25-12-20(13-30-25)18-6-8-21-22-9-7-19(26-14-31-29(33-26)17(3)4)11-24(22)28-27(23(21)10-18)32-15-34(28)5;1-16(2)26-13-20(14-30-26)18-5-7-21-22-8-6-19(27-15-31-29(32-27)17(3)4)12-25(22)28-23(9-10-33-28)24(21)11-18;1-15(2)24-11-19(12-29-24)17-5-7-20-21-8-6-18(25-13-30-28(33-25)16(3)4)10-23(21)27-26(22(20)9-17)31-14-32-27/h2*6-11,13-17H,12H2,1-5H3,(H,31,33);5-12,14-17H,13H2,1-4H3,(H,31,32);5-10,12-16H,11H2,1-4H3,(H,30,33)(H,31,32).

What are the key properties of 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole?

1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole has a molecular weight of 1762.29 g/mol, XLogP of 29.79, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-c]pyrazole;3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]imidazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole is sourced from PubChem (CID 158407902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).