5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid

C123H78Br4N12O6 — CID 161334645

IUPAC5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1C1=Nc2c(c3cc(C(=O)O)ccc3c3ccccc23)C1.O=C(O)c1ccc2c(c1)c1c(c3ccccc32)N=C(c2c[nH]c3ccc(Br)cc23)C1.O=C(O)c1ccc2c(c1)c1c(c3ccccc32)N=C(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H18N2O2.C25H15BrN2O2.C25H16N2O2.C24H16BrN3.C23H13Br2N3/c1-14-24(19-8-4-5-9-22(19)27-14)23-13-21-20-12-15(26(29)30)10-11-17(20)16-6-2-3-7-18(16)25(21)28-23;26-14-6-8-22-19(10-14)21(12-27-22)23-11-20-18-9-13(25(29)30)5-7-16(18)15-3-1-2-4-17(15)24(20)28-23;28-25(29)14-9-10-16-15-5-1-2-7-18(15)24-20(19(16)11-14)12-23(27-24)21-13-26-22-8-4-3-6-17(21)22;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24;24-12-5-7-15-14-3-1-2-4-16(14)21-22(18(15)10-12)28-23(27-21)19-11-26-20-8-6-13(25)9-17(19)20/h2-12,27H,13H2,1H3,(H,29,30);1-10,12,27H,11H2,(H,29,30);1-11,13,26H,12H2,(H,28,29);2-12,26H,1H3,(H,27,28);1-11,26H,(H,27,28)
InChIKeyVLWDMFWTYQPJMM-UHFFFAOYSA-N
MW2139.67 g/mol
LogP33.25
Rot. Bonds8

About 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid

5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid (PubChem CID 161334645) has the molecular formula C123H78Br4N12O6 and a molecular weight of 2139.67 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid
PubChem CID161334645
Molecular FormulaC123H78Br4N12O6
Molecular Weight2139.67 g/mol
Exact Mass2134.29
IUPAC Name5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1C1=Nc2c(c3cc(C(=O)O)ccc3c3ccccc23)C1.O=C(O)c1ccc2c(c1)c1c(c3ccccc32)N=C(c2c[nH]c3ccc(Br)cc23)C1.O=C(O)c1ccc2c(c1)c1c(c3ccccc32)N=C(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H18N2O2.C25H15BrN2O2.C25H16N2O2.C24H16BrN3.C23H13Br2N3/c1-14-24(19-8-4-5-9-22(19)27-14)23-13-21-20-12-15(26(29)30)10-11-17(20)16-6-2-3-7-18(16)25(21)28-23;26-14-6-8-22-19(10-14)21(12-27-22)23-11-20-18-9-13(25(29)30)5-7-16(18)15-3-1-2-4-17(15)24(20)28-23;28-25(29)14-9-10-16-15-5-1-2-7-18(15)24-20(19(16)11-14)12-23(27-24)21-13-26-22-8-4-3-6-17(21)22;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24;24-12-5-7-15-14-3-1-2-4-16(14)21-22(18(15)10-12)28-23(27-21)19-11-26-20-8-6-13(25)9-17(19)20/h2-12,27H,13H2,1H3,(H,29,30);1-10,12,27H,11H2,(H,29,30);1-11,13,26H,12H2,(H,28,29);2-12,26H,1H3,(H,27,28);1-11,26H,(H,27,28)
InChIKeyVLWDMFWTYQPJMM-UHFFFAOYSA-N
XLogP33.25
TPSA285.29 Ų
H-Bond Donors10
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002139.67
LogP ≤ 533.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane
CID 143047895
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
CID 58882242
2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
CID 88972587
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)-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 157451261
1-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrol-5-yl]-3-phenylthiourea
CID 157056388
5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 159592652
3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
CID 59364271
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)-1H-indole;3-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)-2-methyl-1H-indole
CID 158769518
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;methyl 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carboxylate;2-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 160898285
2-(5-bromo-1H-indol-3-yl)-N-[(E)-2-(5-bromo-2-methylphenyl)-4-methylhex-2-enyl]-3H-phenanthro[9,10-d]imidazol-6-amine
CID 130458118
5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 157457326

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid?
The IUPAC name of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid (CID 161334645) is 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1C1=Nc2c(c3cc(C(=O)O)ccc3c3ccccc23)C1.O=C(O)c1ccc2c(c1)c1c(c3ccccc32)N=C(c2c[nH]c3ccc(Br)cc23)C1.O=C(O)c1ccc2c(c1)c1c(c3ccccc32)N=C(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid?
The InChIKey is VLWDMFWTYQPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2.C25H15BrN2O2.C25H16N2O2.C24H16BrN3.C23H13Br2N3/c1-14-24(19-8-4-5-9-22(19)27-14)23-13-21-20-12-15(26(29)30)10-11-17(20)16-6-2-3-7-18(16)25(21)28-23;26-14-6-8-22-19(10-14)21(12-27-22)23-11-20-18-9-13(25(29)30)5-7-16(18)15-3-1-2-4-17(15)24(20)28-23;28-25(29)14-9-10-16-15-5-1-2-7-18(15)24-20(19(16)11-14)12-23(27-24)21-13-26-22-8-4-3-6-17(21)22;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24;24-12-5-7-15-14-3-1-2-4-16(14)21-22(18(15)10-12)28-23(27-21)19-11-26-20-8-6-13(25)9-17(19)20/h2-12,27H,13H2,1H3,(H,29,30);1-10,12,27H,11H2,(H,29,30);1-11,13,26H,12H2,(H,28,29);2-12,26H,1H3,(H,27,28);1-11,26H,(H,27,28).
What are the key properties of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid?
5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid has a molecular weight of 2139.67 g/mol, XLogP of 33.25, 8 rotatable bonds, 10 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 161334645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).