2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine

C144H92Br7N23O4 — CID 159411093

IUPAC2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine
SMILESBrc1ccc2[nH]cc(/C=N/c3ccc4c(c3)c3ccccc3c3[nH]c(-c5c[nH]c6ccc(Br)cc56)nc43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Nc1ccc2c(c1)c1cc(N)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21
InChIInChI=1S/C33H22Br2N4.C33H23BrN4.C32H19Br2N5.C23H12BrN5O4.C23H16BrN5/c34-20-8-11-29-25(14-20)19(16-36-29)7-5-18-6-10-24-26(13-18)22-3-1-2-4-23(22)31-32(24)39-33(38-31)28-17-37-30-12-9-21(35)15-27(28)30;34-21-12-14-30-26(16-21)20(17-35-30)11-9-19-10-13-25-27(15-19)22-5-1-2-7-24(22)31-32(25)38-33(37-31)28-18-36-29-8-4-3-6-23(28)29;33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-23-25(13-20)21-3-1-2-4-22(21)30-31(23)39-32(38-30)27-16-37-29-10-6-19(34)12-26(27)29;24-11-1-6-20-18(7-11)19(10-25-20)23-26-21-14-4-2-12(28(30)31)8-16(14)17-9-13(29(32)33)3-5-15(17)22(21)27-23;24-11-1-6-20-18(7-11)19(10-27-20)23-28-21-14-4-2-12(25)8-16(14)17-9-13(26)3-5-15(17)22(21)29-23/h1-4,6,8-17,36-37H,5,7H2,(H,38,39);1-8,10,12-18,35-36H,9,11H2,(H,37,38);1-16,36-37H,(H,38,39);1-10,25H,(H,26,27);1-10,27H,25-26H2,(H,28,29)/b;;35-14+;;
InChIKeyLOOXMPKQDPAEDT-WQTGIMICSA-N
MW2767.80 g/mol
LogP41.17
Rot. Bonds15

About 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine

2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine (PubChem CID 159411093) has the molecular formula C144H92Br7N23O4 and a molecular weight of 2767.80 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine
PubChem CID159411093
Molecular FormulaC144H92Br7N23O4
Molecular Weight2767.80 g/mol
Exact Mass2759.20
IUPAC Name2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine
SMILESBrc1ccc2[nH]cc(/C=N/c3ccc4c(c3)c3ccccc3c3[nH]c(-c5c[nH]c6ccc(Br)cc56)nc43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Nc1ccc2c(c1)c1cc(N)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21
InChIInChI=1S/C33H22Br2N4.C33H23BrN4.C32H19Br2N5.C23H12BrN5O4.C23H16BrN5/c34-20-8-11-29-25(14-20)19(16-36-29)7-5-18-6-10-24-26(13-18)22-3-1-2-4-23(22)31-32(24)39-33(38-31)28-17-37-30-12-9-21(35)15-27(28)30;34-21-12-14-30-26(16-21)20(17-35-30)11-9-19-10-13-25-27(15-19)22-5-1-2-7-24(22)31-32(25)38-33(37-31)28-18-36-29-8-4-3-6-23(28)29;33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-23-25(13-20)21-3-1-2-4-22(21)30-31(23)39-32(38-30)27-16-37-29-10-6-19(34)12-26(27)29;24-11-1-6-20-18(7-11)19(10-25-20)23-26-21-14-4-2-12(28(30)31)8-16(14)17-9-13(29(32)33)3-5-15(17)22(21)27-23;24-11-1-6-20-18(7-11)19(10-27-20)23-28-21-14-4-2-12(25)8-16(14)17-9-13(26)3-5-15(17)22(21)29-23/h1-4,6,8-17,36-37H,5,7H2,(H,38,39);1-8,10,12-18,35-36H,9,11H2,(H,37,38);1-16,36-37H,(H,38,39);1-10,25H,(H,26,27);1-10,27H,25-26H2,(H,28,29)/b;;35-14+;;
InChIKeyLOOXMPKQDPAEDT-WQTGIMICSA-N
XLogP41.17
TPSA420.40 Ų
H-Bond Donors15
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002767.80
LogP ≤ 541.17
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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'}

Analyze 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro(9,10-d)imidazole
CID 11851317
5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 11224936
3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 46890925
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
3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 160883551
3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 161285357
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)-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
3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11214270
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882237

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine (CID 159411093) is 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine is Brc1ccc2[nH]cc(/C=N/c3ccc4c(c3)c3ccccc3c3[nH]c(-c5c[nH]c6ccc(Br)cc56)nc43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Nc1ccc2c(c1)c1cc(N)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine?
The InChIKey is LOOXMPKQDPAEDT-WQTGIMICSA-N. The full InChI is InChI=1S/C33H22Br2N4.C33H23BrN4.C32H19Br2N5.C23H12BrN5O4.C23H16BrN5/c34-20-8-11-29-25(14-20)19(16-36-29)7-5-18-6-10-24-26(13-18)22-3-1-2-4-23(22)31-32(24)39-33(38-31)28-17-37-30-12-9-21(35)15-27(28)30;34-21-12-14-30-26(16-21)20(17-35-30)11-9-19-10-13-25-27(15-19)22-5-1-2-7-24(22)31-32(25)38-33(37-31)28-18-36-29-8-4-3-6-23(28)29;33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-23-25(13-20)21-3-1-2-4-22(21)30-31(23)39-32(38-30)27-16-37-29-10-6-19(34)12-26(27)29;24-11-1-6-20-18(7-11)19(10-25-20)23-26-21-14-4-2-12(28(30)31)8-16(14)17-9-13(29(32)33)3-5-15(17)22(21)27-23;24-11-1-6-20-18(7-11)19(10-27-20)23-28-21-14-4-2-12(25)8-16(14)17-9-13(26)3-5-15(17)22(21)29-23/h1-4,6,8-17,36-37H,5,7H2,(H,38,39);1-8,10,12-18,35-36H,9,11H2,(H,37,38);1-16,36-37H,(H,38,39);1-10,25H,(H,26,27);1-10,27H,25-26H2,(H,28,29)/b;;35-14+;;.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine?
2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine has a molecular weight of 2767.80 g/mol, XLogP of 41.17, 15 rotatable bonds, 15 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-6-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-6,9-dinitro-1H-phenanthro[9,10-d]imidazole;6-[2-(5-bromo-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine is sourced from PubChem (CID 159411093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).