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

C143H89Br5N18O6 — CID 159233569

IUPAC5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Brc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(C(=O)O)ccc3c3ccccc3c2[nH]1.O=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C25H17N3O2.C24H14BrN3O2.C24H16BrN3.C24H15N3O2.C23H13Br2N3.C23H14BrN3/c1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25(29)30)12-19(16)23(22)28-24;25-13-6-8-20-17(10-13)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-5-12(24(29)30)9-18(15)22(21)28-23;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;28-24(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20;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;24-13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20/h2-12,26H,1H3,(H,27,28)(H,29,30);1-11,26H,(H,27,28)(H,29,30);2-12,26H,1H3,(H,27,28);1-12,25H,(H,26,27)(H,28,29);1-11,26H,(H,27,28);1-12,25H,(H,26,27)
InChIKeyKTEVAJRJLUDNSU-UHFFFAOYSA-N
MW2554.92 g/mol
LogP39.63
Rot. Bonds9

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

5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid (PubChem CID 159233569) has the molecular formula C143H89Br5N18O6 and a molecular weight of 2554.92 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid
PubChem CID159233569
Molecular FormulaC143H89Br5N18O6
Molecular Weight2554.92 g/mol
Exact Mass2548.31
IUPAC Name5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Brc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(C(=O)O)ccc3c3ccccc3c2[nH]1.O=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C25H17N3O2.C24H14BrN3O2.C24H16BrN3.C24H15N3O2.C23H13Br2N3.C23H14BrN3/c1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25(29)30)12-19(16)23(22)28-24;25-13-6-8-20-17(10-13)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-5-12(24(29)30)9-18(15)22(21)28-23;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;28-24(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20;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;24-13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20/h2-12,26H,1H3,(H,27,28)(H,29,30);1-11,26H,(H,27,28)(H,29,30);2-12,26H,1H3,(H,27,28);1-12,25H,(H,26,27)(H,28,29);1-11,26H,(H,27,28);1-12,25H,(H,26,27)
InChIKeyKTEVAJRJLUDNSU-UHFFFAOYSA-N
XLogP39.63
TPSA378.72 Ų
H-Bond Donors15
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002554.92
LogP ≤ 539.63
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-bromo-3,3-dimethyl-1-pyridin-3-yl-3a,7a-dihydroindol-2-one;5-bromo-2-(trifluoromethyl)benzoic acid;4-fluorobenzene-1,2-diamine;[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]boronic acid;bis(4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one);6-fluoro-2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 159285876
2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid
CID 58882241
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid
CID 58882263
2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid
CID 58882316
CID 89277664
CID 89277664
5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-10-carboxylic acid
CID 118602061
2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid
CID 136014615
bis(1H-benzimidazole);2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 156118732
2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(3-isocyanophenyl)-1H-phenanthro[9,10-d]imidazole
CID 157319711
2-[4-(bromomethyl)phenyl]benzaldehyde;4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazole;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzaldehyde;2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 157481994
4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;2-methyl-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
CID 157669001
1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate
CID 157902144

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid?
The IUPAC name of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid (CID 159233569) is 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid?
The canonical SMILES for 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Brc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(C(=O)O)ccc3c3ccccc3c2[nH]1.O=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.O=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.
What is the InChIKey of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid?
The InChIKey is KTEVAJRJLUDNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2.C24H14BrN3O2.C24H16BrN3.C24H15N3O2.C23H13Br2N3.C23H14BrN3/c1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25(29)30)12-19(16)23(22)28-24;25-13-6-8-20-17(10-13)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-5-12(24(29)30)9-18(15)22(21)28-23;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;28-24(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20;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;24-13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20/h2-12,26H,1H3,(H,27,28)(H,29,30);1-11,26H,(H,27,28)(H,29,30);2-12,26H,1H3,(H,27,28);1-12,25H,(H,26,27)(H,28,29);1-11,26H,(H,27,28);1-12,25H,(H,26,27).
What are the key properties of 5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid?
5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid has a molecular weight of 2554.92 g/mol, XLogP of 39.63, 9 rotatable bonds, 15 hydrogen bond donors, and 9 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;5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid is sourced from PubChem (CID 159233569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).