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

C169H158N24O2S3 — CID 157068316

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

10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole (PubChem CID 157068316) has the molecular formula C169H158N24O2S3 and a molecular weight of 2653.49 g/mol. Its IUPAC name is 10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole.

Molecular Properties

• Compound Name: 10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
• PubChem CID: 157068316
• Molecular Formula: C169H158N24O2S3
• Molecular Weight: 2653.49 g/mol
• Exact Mass: 2651.22
• IUPAC Name: 10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
• SMILES: CC(C)C1=NC=C(c2ccc3c(c2)c2ccsc2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c(c2)c2cn[nH]c2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c(c2)c2cnoc2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c(c2)c2cnsc2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4ocnc4c3c2)C1.CC(C)C1=NC=C(c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4scnc4c3c2)C1
• InChI: InChI=1S/C29H27N3S.C28H27N5.2C28H26N4O.2C28H26N4S/c1-16(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;2*1-15(2)25-11-19(12-29-25)17-5-7-20-21-8-6-18(26-14-30-28(32-26)16(3)4)10-23(21)27-24(13-31-33-27)22(20)9-17;1-15(2)24-11-19(12-29-24)17-5-7-20-21-8-6-18(25-13-30-28(32-25)16(3)4)10-23(21)27-26(22(20)9-17)31-14-33-27;1-15(2)25-11-19(12-29-25)17-5-7-20-21-8-6-18(26-14-30-28(32-26)16(3)4)10-23(21)27-24(13-31-33-27)22(20)9-17;1-15(2)24-11-19(12-29-24)17-5-7-20-21-8-6-18(25-13-30-28(32-25)16(3)4)10-23(21)27-26(22(20)9-17)31-14-33-27/h5-12,14-17H,13H2,1-4H3,(H,31,32);5-10,12-16H,11H2,1-4H3,(H,30,32)(H,31,33);4*5-10,12-16H,11H2,1-4H3,(H,30,32)
• InChIKey: ACDDJEZNKPILJF-UHFFFAOYSA-N
• XLogP: 46.68
• TPSA: 352.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.49
LogP ≤ 5	46.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole (CID 157068316) is 10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole.

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

The canonical SMILES for 10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole is CC(C)C1=NC=C(c2ccc3c(c2)c2ccsc2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c(c2)c2cn[nH]c2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c(c2)c2cnoc2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c(c2)c2cnsc2c2cc(-c4cnc(C(C)C)[nH]4)ccc32)C1.CC(C)C1=NC=C(c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4ocnc4c3c2)C1.CC(C)C1=NC=C(c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4scnc4c3c2)C1.

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

The InChIKey is ACDDJEZNKPILJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3S.C28H27N5.2C28H26N4O.2C28H26N4S/c1-16(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;2*1-15(2)25-11-19(12-29-25)17-5-7-20-21-8-6-18(26-14-30-28(32-26)16(3)4)10-23(21)27-24(13-31-33-27)22(20)9-17;1-15(2)24-11-19(12-29-24)17-5-7-20-21-8-6-18(25-13-30-28(32-25)16(3)4)10-23(21)27-26(22(20)9-17)31-14-33-27;1-15(2)25-11-19(12-29-25)17-5-7-20-21-8-6-18(26-14-30-28(32-26)16(3)4)10-23(21)27-24(13-31-33-27)22(20)9-17;1-15(2)24-11-19(12-29-24)17-5-7-20-21-8-6-18(25-13-30-28(32-25)16(3)4)10-23(21)27-26(22(20)9-17)31-14-33-27/h5-12,14-17H,13H2,1-4H3,(H,31,32);5-10,12-16H,11H2,1-4H3,(H,30,32)(H,31,33);4*5-10,12-16H,11H2,1-4H3,(H,30,32).

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

10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole has a molecular weight of 2653.49 g/mol, XLogP of 46.68, 24 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole is sourced from PubChem (CID 157068316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).