3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole

C94H62Br4I2N14O4 — CID 158714849

IUPAC3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(C3=NC(c4cccc(I)c4)=C(c4cccc(I)c4)C3)c2c1.Cc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H15BrI2N2.C24H18BrN3.C23H14BrN5O4.C23H15BrN4/c25-16-7-8-22-20(11-16)21(13-28-22)23-12-19(14-3-1-5-17(26)9-14)24(29-23)15-4-2-6-18(27)10-15;1-15-6-5-9-17(12-15)23-22(16-7-3-2-4-8-16)27-24(28-23)20-14-26-21-11-10-18(25)13-19(20)21;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(7-2-13)28(30)31)22(27-23)14-3-8-17(9-4-14)29(32)33;24-12-5-8-20-17(9-12)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-6-13(25)10-18(15)22(21)28-23/h1-11,13,28H,12H2;2-14,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-11,26H,25H2,(H,27,28)
InChIKeyIJELLFUIFGSZOP-UHFFFAOYSA-N
MW2025.05 g/mol
LogP27.70
Rot. Bonds12

About 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole

3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 158714849) has the molecular formula C94H62Br4I2N14O4 and a molecular weight of 2025.05 g/mol. Its IUPAC name is 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID158714849
Molecular FormulaC94H62Br4I2N14O4
Molecular Weight2025.05 g/mol
Exact Mass2019.99
IUPAC Name3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(C3=NC(c4cccc(I)c4)=C(c4cccc(I)c4)C3)c2c1.Cc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H15BrI2N2.C24H18BrN3.C23H14BrN5O4.C23H15BrN4/c25-16-7-8-22-20(11-16)21(13-28-22)23-12-19(14-3-1-5-17(26)9-14)24(29-23)15-4-2-6-18(27)10-15;1-15-6-5-9-17(12-15)23-22(16-7-3-2-4-8-16)27-24(28-23)20-14-26-21-11-10-18(25)13-19(20)21;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(7-2-13)28(30)31)22(27-23)14-3-8-17(9-4-14)29(32)33;24-12-5-8-20-17(9-12)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-6-13(25)10-18(15)22(21)28-23/h1-11,13,28H,12H2;2-14,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-11,26H,25H2,(H,27,28)
InChIKeyIJELLFUIFGSZOP-UHFFFAOYSA-N
XLogP27.70
TPSA273.86 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002025.05
LogP ≤ 527.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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'}

Analyze 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro(9,10-d)imidazole
CID 11851317
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)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882237
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
1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea
CID 58882270
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

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole (CID 158714849) is 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(C3=NC(c4cccc(I)c4)=C(c4cccc(I)c4)C3)c2c1.Cc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is IJELLFUIFGSZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrI2N2.C24H18BrN3.C23H14BrN5O4.C23H15BrN4/c25-16-7-8-22-20(11-16)21(13-28-22)23-12-19(14-3-1-5-17(26)9-14)24(29-23)15-4-2-6-18(27)10-15;1-15-6-5-9-17(12-15)23-22(16-7-3-2-4-8-16)27-24(28-23)20-14-26-21-11-10-18(25)13-19(20)21;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(7-2-13)28(30)31)22(27-23)14-3-8-17(9-4-14)29(32)33;24-12-5-8-20-17(9-12)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-6-13(25)10-18(15)22(21)28-23/h1-11,13,28H,12H2;2-14,26H,1H3,(H,27,28);1-12,25H,(H,26,27);1-11,26H,25H2,(H,27,28).
What are the key properties of 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 2025.05 g/mol, XLogP of 27.70, 12 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 158714849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).