3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole

C122H78Br2FI2N17O4 — CID 157447818

IUPAC3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4cccc(I)c4)c(-c4cccc(I)c4)[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C30H23N3.C23H14BrI2N3.C23H13BrN4O2.C23H14FN3.C23H14N4O2/c1-20-27(25-14-8-9-15-26(25)31-20)30-32-28(23-12-6-3-7-13-23)29(33-30)24-18-16-22(17-19-24)21-10-4-2-5-11-21;24-15-7-8-20-18(11-15)19(12-27-20)23-28-21(13-3-1-5-16(25)9-13)22(29-23)14-4-2-6-17(26)10-14;24-12-5-8-20-17(9-12)19(11-25-20)23-26-21-16-4-2-1-3-14(16)15-7-6-13(28(29)30)10-18(15)22(21)27-23;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/h2-19,31H,1H3,(H,32,33);1-12,27H,(H,28,29);1-11,25H,(H,26,27);1-12,25H,(H,26,27);1-12,24H,(H,25,26)
InChIKeyBSKYZUVQPGFBAC-UHFFFAOYSA-N
MW2278.69 g/mol
LogP34.50
Rot. Bonds12

About 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole

3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 157447818) has the molecular formula C122H78Br2FI2N17O4 and a molecular weight of 2278.69 g/mol. Its IUPAC name is 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID157447818
Molecular FormulaC122H78Br2FI2N17O4
Molecular Weight2278.69 g/mol
Exact Mass2275.29
IUPAC Name3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4cccc(I)c4)c(-c4cccc(I)c4)[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C30H23N3.C23H14BrI2N3.C23H13BrN4O2.C23H14FN3.C23H14N4O2/c1-20-27(25-14-8-9-15-26(25)31-20)30-32-28(23-12-6-3-7-13-23)29(33-30)24-18-16-22(17-19-24)21-10-4-2-5-11-21;24-15-7-8-20-18(11-15)19(12-27-20)23-28-21(13-3-1-5-16(25)9-13)22(29-23)14-4-2-6-17(26)10-14;24-12-5-8-20-17(9-12)19(11-25-20)23-26-21-16-4-2-1-3-14(16)15-7-6-13(28(29)30)10-18(15)22(21)27-23;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/h2-19,31H,1H3,(H,32,33);1-12,27H,(H,28,29);1-11,25H,(H,26,27);1-12,25H,(H,26,27);1-12,24H,(H,25,26)
InChIKeyBSKYZUVQPGFBAC-UHFFFAOYSA-N
XLogP34.50
TPSA308.63 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002278.69
LogP ≤ 534.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-6-fluoro-3H-phenanthro[9,10-d]imidazole
CID 118602067
3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 160883551
3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 161285357
3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 162090421
2-(5-bromo-1H-indol-3-yl)-6,9-diiodo-1H-phenanthro[9,10-d]imidazole
CID 2846966
2-(5-bromo-1H-indol-3-yl)-5,10-diiodo-1H-phenanthro[9,10-d]imidazole
CID 11158127
2-(5-bromo-1H-indol-3-yl)-7-nitro-1H-phenanthro[9,10-d]imidazole
CID 58882254
2-(5-bromo-1H-indol-3-yl)-5,10-dimethyl-1H-phenanthro[9,10-d]imidazole
CID 58882261
N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine
CID 58882267
2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole
CID 58882271
2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882286
2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole
CID 58882305

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 157447818) is 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4cccc(I)c4)c(-c4cccc(I)c4)[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1.Fc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.
What is the InChIKey of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is BSKYZUVQPGFBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3.C23H14BrI2N3.C23H13BrN4O2.C23H14FN3.C23H14N4O2/c1-20-27(25-14-8-9-15-26(25)31-20)30-32-28(23-12-6-3-7-13-23)29(33-30)24-18-16-22(17-19-24)21-10-4-2-5-11-21;24-15-7-8-20-18(11-15)19(12-27-20)23-28-21(13-3-1-5-16(25)9-13)22(29-23)14-4-2-6-17(26)10-14;24-12-5-8-20-17(9-12)19(11-25-20)23-26-21-16-4-2-1-3-14(16)15-7-6-13(28(29)30)10-18(15)22(21)27-23;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/h2-19,31H,1H3,(H,32,33);1-12,27H,(H,28,29);1-11,25H,(H,26,27);1-12,25H,(H,26,27);1-12,24H,(H,25,26).
What are the key properties of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 2278.69 g/mol, XLogP of 34.50, 12 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;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-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 157447818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).