2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole

C128H87Br2N15 — CID 158366348

IUPAC2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Cn1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(-c2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1.c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1
InChIInChI=1S/C29H20BrN3.C29H21N3.C24H17N3.C23H14BrN3.C23H15N3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-3-9-20(10-4-1)21-15-17-23(18-16-21)28-27(22-11-5-2-6-12-22)31-29(32-28)25-19-30-26-14-8-7-13-24(25)26;1-27-14-20(17-10-6-7-13-21(17)27)24-25-22-18-11-4-2-8-15(18)16-9-3-5-12-19(16)23(22)26-24;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;1-3-10-17-14(7-1)15-8-2-4-11-18(15)22-21(17)25-23(26-22)19-13-24-20-12-6-5-9-16(19)20/h1-18,31H,(H,32,33);1-19,30H,(H,31,32);2-14H,1H3,(H,25,26);1-12,25H,(H,26,27);1-13,24H,(H,25,26)
InChIKeyGUBQBSDRBQUZOX-UHFFFAOYSA-N
MW1995.02 g/mol
LogP34.71
Rot. Bonds11

About 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 158366348) has the molecular formula C128H87Br2N15 and a molecular weight of 1995.02 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID158366348
Molecular FormulaC128H87Br2N15
Molecular Weight1995.02 g/mol
Exact Mass1991.56
IUPAC Name2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Cn1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(-c2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1.c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1
InChIInChI=1S/C29H20BrN3.C29H21N3.C24H17N3.C23H14BrN3.C23H15N3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-3-9-20(10-4-1)21-15-17-23(18-16-21)28-27(22-11-5-2-6-12-22)31-29(32-28)25-19-30-26-14-8-7-13-24(25)26;1-27-14-20(17-10-6-7-13-21(17)27)24-25-22-18-11-4-2-8-15(18)16-9-3-5-12-19(16)23(22)26-24;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;1-3-10-17-14(7-1)15-8-2-4-11-18(15)22-21(17)25-23(26-22)19-13-24-20-12-6-5-9-16(19)20/h1-18,31H,(H,32,33);1-19,30H,(H,31,32);2-14H,1H3,(H,25,26);1-12,25H,(H,26,27);1-13,24H,(H,25,26)
InChIKeyGUBQBSDRBQUZOX-UHFFFAOYSA-N
XLogP34.71
TPSA211.49 Ų
H-Bond Donors9
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.02
LogP ≤ 534.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro(9,10-d)imidazole
CID 11851317
1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 44563174
3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 10257358
4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
CID 11386485
5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 11420438
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 53232282
5-bromo-2-((5,7-dimethyl-1H-indol-4-yl)methyl)-7-fluoro-1H-benzo[d]imidazole
CID 86701560
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-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene
CID 157391372
7-[4-(2-cyclopentyl-1H-imidazol-5-yl)-3-fluorophenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)-3-fluorophenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-[2-[(1S)-3,3-difluorocyclopentyl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-[2-[(1S)-3,3-difluorocyclopentyl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole
CID 157397000
1-(1H-benzimidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine;N-tert-butyl-1-(1-methylbenzimidazol-2-yl)methanimine;N-cyclohexyl-1-(4,7-diphenyl-1H-benzimidazol-2-yl)methanimine;N-cyclohexyl-1-(1-methylbenzimidazol-2-yl)methanimine;N-(3,5-dimethylphenyl)-1-(4,7-diphenyl-1H-benzimidazol-2-yl)methanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-naphthalen-1-ylmethanimine;N-hexyl-1-(1-methylbenzimidazol-2-yl)methanimine;1-(1-methylbenzimidazol-2-yl)-N-phenylmethanimine
CID 157698515

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 158366348) is 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Cn1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(-c2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1.c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is GUBQBSDRBQUZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BrN3.C29H21N3.C24H17N3.C23H14BrN3.C23H15N3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-3-9-20(10-4-1)21-15-17-23(18-16-21)28-27(22-11-5-2-6-12-22)31-29(32-28)25-19-30-26-14-8-7-13-24(25)26;1-27-14-20(17-10-6-7-13-21(17)27)24-25-22-18-11-4-2-8-15(18)16-9-3-5-12-19(16)23(22)26-24;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;1-3-10-17-14(7-1)15-8-2-4-11-18(15)22-21(17)25-23(26-22)19-13-24-20-12-6-5-9-16(19)20/h1-18,31H,(H,32,33);1-19,30H,(H,31,32);2-14H,1H3,(H,25,26);1-12,25H,(H,26,27);1-13,24H,(H,25,26).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 1995.02 g/mol, XLogP of 34.71, 11 rotatable bonds, 9 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 158366348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).