2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone

C100H73FN14O3 — CID 159705655

IUPAC2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone
SMILESCC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(N3CCCCC3)cc2)[nH]1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C29H28N4.C25H17N3O.C23H14FN3.C23H14N4O2/c1-20-26(24-12-6-7-13-25(24)30-20)29-31-27(21-10-4-2-5-11-21)28(32-29)22-14-16-23(17-15-22)33-18-8-3-9-19-33;1-14(29)15-10-11-18-21(13-26-22(18)12-15)25-27-23-19-8-4-2-6-16(19)17-7-3-5-9-20(17)24(23)28-25;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;28-27(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)26-23(25-21)19-12-24-20-8-4-3-6-16(19)20/h2,4-7,10-17,30H,3,8-9,18-19H2,1H3,(H,31,32);2-13,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-12,24H,(H,25,26)
InChIKeyMYEFBDNOXFBLGL-UHFFFAOYSA-N
MW1537.78 g/mol
LogP25.49
Rot. Bonds9

About 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone

2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone (PubChem CID 159705655) has the molecular formula C100H73FN14O3 and a molecular weight of 1537.78 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone
PubChem CID159705655
Molecular FormulaC100H73FN14O3
Molecular Weight1537.78 g/mol
Exact Mass1536.60
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone
SMILESCC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(N3CCCCC3)cc2)[nH]1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C29H28N4.C25H17N3O.C23H14FN3.C23H14N4O2/c1-20-26(24-12-6-7-13-25(24)30-20)29-31-27(21-10-4-2-5-11-21)28(32-29)22-14-16-23(17-15-22)33-18-8-3-9-19-33;1-14(29)15-10-11-18-21(13-26-22(18)12-15)25-27-23-19-8-4-2-6-16(19)17-7-3-5-9-20(17)24(23)28-25;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;28-27(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)26-23(25-21)19-12-24-20-8-4-3-6-16(19)20/h2,4-7,10-17,30H,3,8-9,18-19H2,1H3,(H,31,32);2-13,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-12,24H,(H,25,26)
InChIKeyMYEFBDNOXFBLGL-UHFFFAOYSA-N
XLogP25.49
TPSA241.33 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.78
LogP ≤ 525.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone (CID 159705655) is 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone is CC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(N3CCCCC3)cc2)[nH]1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone?
The InChIKey is MYEFBDNOXFBLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4.C25H17N3O.C23H14FN3.C23H14N4O2/c1-20-26(24-12-6-7-13-25(24)30-20)29-31-27(21-10-4-2-5-11-21)28(32-29)22-14-16-23(17-15-22)33-18-8-3-9-19-33;1-14(29)15-10-11-18-21(13-26-22(18)12-15)25-27-23-19-8-4-2-6-16(19)17-7-3-5-9-20(17)24(23)28-25;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;28-27(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)26-23(25-21)19-12-24-20-8-4-3-6-16(19)20/h2,4-7,10-17,30H,3,8-9,18-19H2,1H3,(H,31,32);2-13,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-12,24H,(H,25,26).
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone?
2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone has a molecular weight of 1537.78 g/mol, XLogP of 25.49, 9 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indol-6-yl]ethanone is sourced from PubChem (CID 159705655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).