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

C104H72BrN15S — CID 157093902

IUPAC2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccccc34)nc21.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.[C-]#[N+]c1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1
InChIInChI=1S/C30H21N5S.C25H18BrN3.C25H19N3.C24H14N4/c36-30(32-18-8-2-1-3-9-18)33-19-14-15-21-20-10-4-5-12-23(20)27-28(24(21)16-19)35-29(34-27)25-17-31-26-13-7-6-11-22(25)26;1-13-3-6-16-18(9-13)19-10-14(2)4-7-17(19)24-23(16)28-25(29-24)21-12-27-22-8-5-15(26)11-20(21)22;1-14-7-9-17-19(11-14)20-12-15(2)8-10-18(20)24-23(17)27-25(28-24)21-13-26-22-6-4-3-5-16(21)22;1-25-14-10-11-21-19(12-14)20(13-26-21)24-27-22-17-8-4-2-6-15(17)16-7-3-5-9-18(16)23(22)28-24/h1-17,31H,(H,34,35)(H2,32,33,36);3-12,27H,1-2H3,(H,28,29);3-13,26H,1-2H3,(H,27,28);2-13,26H,(H,27,28)
InChIKeyAEZCZZKJHIKFJX-UHFFFAOYSA-N
MW1643.80 g/mol
LogP28.43
Rot. Bonds6

About 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 157093902) has the molecular formula C104H72BrN15S and a molecular weight of 1643.80 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
PubChem CID157093902
Molecular FormulaC104H72BrN15S
Molecular Weight1643.80 g/mol
Exact Mass1641.50
IUPAC Name2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccccc34)nc21.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.[C-]#[N+]c1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1
InChIInChI=1S/C30H21N5S.C25H18BrN3.C25H19N3.C24H14N4/c36-30(32-18-8-2-1-3-9-18)33-19-14-15-21-20-10-4-5-12-23(20)27-28(24(21)16-19)35-29(34-27)25-17-31-26-13-7-6-11-22(25)26;1-13-3-6-16-18(9-13)19-10-14(2)4-7-17(19)24-23(16)28-25(29-24)21-12-27-22-8-5-15(26)11-20(21)22;1-14-7-9-17-19(11-14)20-12-15(2)8-10-18(20)24-23(17)27-25(28-24)21-13-26-22-6-4-3-5-16(21)22;1-25-14-10-11-21-19(12-14)20(13-26-21)24-27-22-17-8-4-2-6-15(17)16-7-3-5-9-18(16)23(22)28-24/h1-17,31H,(H,34,35)(H2,32,33,36);3-12,27H,1-2H3,(H,28,29);3-13,26H,1-2H3,(H,27,28);2-13,26H,(H,27,28)
InChIKeyAEZCZZKJHIKFJX-UHFFFAOYSA-N
XLogP28.43
TPSA206.30 Ų
H-Bond Donors10
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001643.80
LogP ≤ 528.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-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-[(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
N-methyl-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-inden-2-yl)ethanamine;N-methyl-1-(4,5,6-trimethyl-1H-inden-2-yl)-1-(5,6,7-trimethyl-1H-indol-4-yl)ethanamine;1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-inden-2-yl)ethanamine;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole
CID 157855462
7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;7-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole
CID 157929099
9-(5-Bromo-1h-benzo[d]imidazol-2-yl)-5,11-dimethyl-6h-pyrido[4,3-b]carbazole
CID 129841400
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-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
CID 58882242
5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
CID 58882251

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 157093902) is 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccccc34)nc21.S=C(Nc1ccccc1)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.[C-]#[N+]c1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is AEZCZZKJHIKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5S.C25H18BrN3.C25H19N3.C24H14N4/c36-30(32-18-8-2-1-3-9-18)33-19-14-15-21-20-10-4-5-12-23(20)27-28(24(21)16-19)35-29(34-27)25-17-31-26-13-7-6-11-22(25)26;1-13-3-6-16-18(9-13)19-10-14(2)4-7-17(19)24-23(16)28-25(29-24)21-12-27-22-8-5-15(26)11-20(21)22;1-14-7-9-17-19(11-14)20-12-15(2)8-10-18(20)24-23(17)27-25(28-24)21-13-26-22-6-4-3-5-16(21)22;1-25-14-10-11-21-19(12-14)20(13-26-21)24-27-22-17-8-4-2-6-15(17)16-7-3-5-9-18(16)23(22)28-24/h1-17,31H,(H,34,35)(H2,32,33,36);3-12,27H,1-2H3,(H,28,29);3-13,26H,1-2H3,(H,27,28);2-13,26H,(H,27,28).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 1643.80 g/mol, XLogP of 28.43, 6 rotatable bonds, 10 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-isocyano-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 157093902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).