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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole

C101H63Br5N14O2S — CID 159543703

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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3cc(Br)ccc3c2[nH]1.O=C(O)c1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1
InChIInChI=1S/C30H20BrN5S.C24H14BrN3O2.C24H16BrN3.C23H13Br2N3/c31-17-10-13-26-23(14-17)25(16-32-26)29-35-27-22-9-5-4-8-20(22)21-12-11-19(15-24(21)28(27)36-29)34-30(37)33-18-6-2-1-3-7-18;25-13-6-8-20-18(10-13)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-9-12(24(29)30)5-7-16(17)22(21)28-23;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-16-7-3-2-6-15(16)19-12-14(25)10-11-17(19)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/h1-16,32H,(H,35,36)(H2,33,34,37);1-11,26H,(H,27,28)(H,29,30);2-12,26H,1H3,(H,27,28);1-11,26H,(H,27,28)
InChIKeyMENMJDJCAIYDIO-UHFFFAOYSA-N
MW1936.30 g/mol
LogP29.70
Rot. Bonds7

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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole

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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole (PubChem CID 159543703) has the molecular formula C101H63Br5N14O2S and a molecular weight of 1936.30 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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole.

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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole
PubChem CID159543703
Molecular FormulaC101H63Br5N14O2S
Molecular Weight1936.30 g/mol
Exact Mass1930.09
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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3cc(Br)ccc3c2[nH]1.O=C(O)c1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1
InChIInChI=1S/C30H20BrN5S.C24H14BrN3O2.C24H16BrN3.C23H13Br2N3/c31-17-10-13-26-23(14-17)25(16-32-26)29-35-27-22-9-5-4-8-20(22)21-12-11-19(15-24(21)28(27)36-29)34-30(37)33-18-6-2-1-3-7-18;25-13-6-8-20-18(10-13)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-9-12(24(29)30)5-7-16(17)22(21)28-23;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-16-7-3-2-6-15(16)19-12-14(25)10-11-17(19)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/h1-16,32H,(H,35,36)(H2,33,34,37);1-11,26H,(H,27,28)(H,29,30);2-12,26H,1H3,(H,27,28);1-11,26H,(H,27,28)
InChIKeyMENMJDJCAIYDIO-UHFFFAOYSA-N
XLogP29.70
TPSA239.24 Ų
H-Bond Donors11
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001936.30
LogP ≤ 529.70
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', '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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole 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-(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
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
5-bromo-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;2-(3-isocyanophenyl)-1H-phenanthro[9,10-d]imidazole
CID 157701040
5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-7-nitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carbaldehyde;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;1-[2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea
CID 157933985
2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole;tert-butyl (3R)-3-amino-5-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]-4-oxopentanoate;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 157983599
5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 158131323
2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;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;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine
CID 158231918

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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole?
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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole (CID 159543703) 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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole.
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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole?
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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3cc(Br)ccc3c2[nH]1.O=C(O)c1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.
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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole?
The InChIKey is MENMJDJCAIYDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrN5S.C24H14BrN3O2.C24H16BrN3.C23H13Br2N3/c31-17-10-13-26-23(14-17)25(16-32-26)29-35-27-22-9-5-4-8-20(22)21-12-11-19(15-24(21)28(27)36-29)34-30(37)33-18-6-2-1-3-7-18;25-13-6-8-20-18(10-13)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-9-12(24(29)30)5-7-16(17)22(21)28-23;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-16-7-3-2-6-15(16)19-12-14(25)10-11-17(19)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/h1-16,32H,(H,35,36)(H2,33,34,37);1-11,26H,(H,27,28)(H,29,30);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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole?
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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole has a molecular weight of 1936.30 g/mol, XLogP of 29.70, 7 rotatable bonds, 11 hydrogen bond donors, and 6 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-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;6-bromo-2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 159543703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).