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

C99H63Br4N15S — CID 158131323

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;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
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3cc(Br)ccc3c2[nH]1.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.c1cnc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1
InChIInChI=1S/C30H20BrN5S.C24H16BrN3.C23H13Br2N3.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;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;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);2-12,26H,1H3,(H,27,28);1-11,26H,(H,27,28);1-12H,(H,23,24)(H,25,26)
InChIKeyFSUPETLELHMXJG-UHFFFAOYSA-N
MW1814.38 g/mol
LogP28.63
Rot. Bonds6

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;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

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 (PubChem CID 158131323) has the molecular formula C99H63Br4N15S and a molecular weight of 1814.38 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;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.

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;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
PubChem CID158131323
Molecular FormulaC99H63Br4N15S
Molecular Weight1814.38 g/mol
Exact Mass1809.18
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;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
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3cc(Br)ccc3c2[nH]1.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.c1cnc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1
InChIInChI=1S/C30H20BrN5S.C24H16BrN3.C23H13Br2N3.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;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;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);2-12,26H,1H3,(H,27,28);1-11,26H,(H,27,28);1-12H,(H,23,24)(H,25,26)
InChIKeyFSUPETLELHMXJG-UHFFFAOYSA-N
XLogP28.63
TPSA214.83 Ų
H-Bond Donors10
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.38
LogP ≤ 528.63
H-Bond Donors ≤ 510
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;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 with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro(9,10-d)imidazole
CID 11851317
2-(5-bromo-1H-indol-3-yl)-6-fluoro-3H-phenanthro[9,10-d]imidazole
CID 118602067
[3-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]iminomethyl]-1H-indol-5-yl] thiohypofluorite
CID 143655510
2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 159373251
5-Bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole
CID 159504782
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)-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
5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 58882268
1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea
CID 58882270

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;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?
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;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) 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;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.
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;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?
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;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 is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccccc5c4[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3cc(Br)ccc3c2[nH]1.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;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?
The InChIKey is FSUPETLELHMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrN5S.C24H16BrN3.C23H13Br2N3.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;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;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);2-12,26H,1H3,(H,27,28);1-11,26H,(H,27,28);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;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?
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 has a molecular weight of 1814.38 g/mol, XLogP of 28.63, 6 rotatable bonds, 10 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;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 is sourced from PubChem (CID 158131323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).