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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole

C120H74Br3N21O4S — CID 158466251

IUPAC5-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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ncccc45)nc3c2c1.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.c1cnc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1
InChIInChI=1S/C30H20BrN5S.C23H13Br2N3.C23H14N4O2.C22H13N5O2.C22H14N4/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;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;28-27(29)13-9-10-20-18(11-13)19(12-24-20)23-25-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)26-23;28-27(29)12-7-8-14-13-4-1-2-5-15(13)19-20(17(14)10-12)26-22(25-19)18-11-24-21-16(18)6-3-9-23-21;1-3-8-15-13(6-1)14-7-2-4-9-16(14)20-19(15)25-22(26-20)18-12-24-21-17(18)10-5-11-23-21/h1-16,32H,(H,35,36)(H2,33,34,37);1-11,26H,(H,27,28);1-12,24H,(H,25,26);1-11H,(H,23,24)(H,25,26);1-12H,(H,23,24)(H,25,26)
InChIKeyHFUASKHOEVENCZ-UHFFFAOYSA-N
MW2145.83 g/mol
LogP32.79
Rot. Bonds9

About 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole

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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 158466251) has the molecular formula C120H74Br3N21O4S and a molecular weight of 2145.83 g/mol. Its IUPAC name is 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name5-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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole
PubChem CID158466251
Molecular FormulaC120H74Br3N21O4S
Molecular Weight2145.83 g/mol
Exact Mass2141.35
IUPAC Name5-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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ncccc45)nc3c2c1.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.c1cnc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1
InChIInChI=1S/C30H20BrN5S.C23H13Br2N3.C23H14N4O2.C22H13N5O2.C22H14N4/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;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;28-27(29)13-9-10-20-18(11-13)19(12-24-20)23-25-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)26-23;28-27(29)12-7-8-14-13-4-1-2-5-15(13)19-20(17(14)10-12)26-22(25-19)18-11-24-21-16(18)6-3-9-23-21;1-3-8-15-13(6-1)14-7-2-4-9-16(14)20-19(15)25-22(26-20)18-12-24-21-17(18)10-5-11-23-21/h1-16,32H,(H,35,36)(H2,33,34,37);1-11,26H,(H,27,28);1-12,24H,(H,25,26);1-11H,(H,23,24)(H,25,26);1-12H,(H,23,24)(H,25,26)
InChIKeyHFUASKHOEVENCZ-UHFFFAOYSA-N
XLogP32.79
TPSA358.47 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002145.83
LogP ≤ 532.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole with MolForge

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Related Compounds

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)-7-nitro-1H-phenanthro[9,10-d]imidazole
CID 58882254
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
2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole
CID 58882308
N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882313
N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882318
2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine
CID 58882342
2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
CID 89232049
2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-1H-phenanthro[9,10-d]imidazole
CID 118602070

Frequently Asked Questions

What is the IUPAC name of 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 158466251) is 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-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;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.O=[N+]([O-])c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ncccc45)nc3c2c1.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.c1cnc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.
What is the InChIKey of 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is HFUASKHOEVENCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrN5S.C23H13Br2N3.C23H14N4O2.C22H13N5O2.C22H14N4/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;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;28-27(29)13-9-10-20-18(11-13)19(12-24-20)23-25-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)26-23;28-27(29)12-7-8-14-13-4-1-2-5-15(13)19-20(17(14)10-12)26-22(25-19)18-11-24-21-16(18)6-3-9-23-21;1-3-8-15-13(6-1)14-7-2-4-9-16(14)20-19(15)25-22(26-20)18-12-24-21-17(18)10-5-11-23-21/h1-16,32H,(H,35,36)(H2,33,34,37);1-11,26H,(H,27,28);1-12,24H,(H,25,26);1-11H,(H,23,24)(H,25,26);1-12H,(H,23,24)(H,25,26).
What are the key properties of 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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole?
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;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 2145.83 g/mol, XLogP of 32.79, 9 rotatable bonds, 12 hydrogen bond donors, and 12 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;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-nitro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 158466251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).