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

C114H79Br5N16 — CID 158428718

IUPAC2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.Nc1ccc2c(c1)c1cc(N)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21
InChIInChI=1S/C33H22Br2N4.C33H23BrN4.C25H18BrN3.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;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;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);3-12,27H,1-2H3,(H,28,29);1-10,27H,25-26H2,(H,28,29)
InChIKeyHBJQGFCQQFKYEU-UHFFFAOYSA-N
MW2072.52 g/mol
LogP32.20
Rot. Bonds10

About 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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 158428718) has the molecular formula C114H79Br5N16 and a molecular weight of 2072.52 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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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 CID158428718
Molecular FormulaC114H79Br5N16
Molecular Weight2072.52 g/mol
Exact Mass2066.26
IUPAC Name2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.Nc1ccc2c(c1)c1cc(N)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21
InChIInChI=1S/C33H22Br2N4.C33H23BrN4.C25H18BrN3.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;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;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);3-12,27H,1-2H3,(H,28,29);1-10,27H,25-26H2,(H,28,29)
InChIKeyHBJQGFCQQFKYEU-UHFFFAOYSA-N
XLogP32.20
TPSA261.50 Ų
H-Bond Donors12
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002072.52
LogP ≤ 532.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 46890791
5-bromo-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 46890926
N-(1H-benzimidazol-2-ylmethyl)-1-[2-(5-bromo-1H-indol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 59950807
5-bromo-2-((5,7-dimethyl-1H-indol-4-yl)methyl)-7-fluoro-1H-benzo[d]imidazole
CID 86701560
2-[amino-(5-bromo-7-methyl-1H-indol-4-yl)-fluoromethyl]-3H-benzimidazole-5-carbonitrile
CID 89893124
2-[(5-bromo-7-methyl-1H-indol-4-yl)-fluoro-(methylamino)methyl]-3H-benzimidazole-5-carbonitrile
CID 89893125
2-(5-bromo-1H-indol-3-yl)-6-fluoro-3H-phenanthro[9,10-d]imidazole
CID 118602067

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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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 158428718) is 2-(5-bromo-1H-indol-3-yl)-6-[2-(5-bromo-1H-indol-3-yl)ethyl]-3H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CCc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.Nc1ccc2c(c1)c1cc(N)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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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 HBJQGFCQQFKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22Br2N4.C33H23BrN4.C25H18BrN3.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;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;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);3-12,27H,1-2H3,(H,28,29);1-10,27H,25-26H2,(H,28,29).
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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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 2072.52 g/mol, XLogP of 32.20, 10 rotatable bonds, 12 hydrogen bond donors, and 6 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;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-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 158428718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).