2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

C101H71Br2N18O3+ — CID 161046062

IUPAC2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESBrc1cc(Br)c2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.NCC(=O)n1c(-c2c[nH]c3ccccc23)[nH+]c2c3cc(N)ccc3c3ccccc3c21.NCC(=O)n1cc(-c2nc3c4cc(N)ccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1
InChIInChI=1S/C29H20N4O.2C25H19N5O.C22H12Br2N4/c1-2-6-18(7-3-1)17-34-19-10-11-25-22(14-19)24(16-32-25)26-15-23-20-8-4-12-30-28(20)29-21(27(23)33-26)9-5-13-31-29;26-12-22(31)30-24-18-7-2-1-5-15(18)16-10-9-14(27)11-19(16)23(24)29-25(30)20-13-28-21-8-4-3-6-17(20)21;26-12-22(31)30-13-20(17-6-3-4-8-21(17)30)25-28-23-18-7-2-1-5-15(18)16-10-9-14(27)11-19(16)24(23)29-25;23-11-7-14-16(10-27-20(14)17(24)8-11)18-9-15-12-3-1-5-25-21(12)22-13(19(15)28-18)4-2-6-26-22/h1-14,16,32H,15,17H2;1-11,13,28H,12,26-27H2;1-11,13H,12,26-27H2,(H,28,29);1-8,10,27H,9H2/p+1
InChIKeyZNJUHGZJDZFIET-UHFFFAOYSA-O
MW1744.61 g/mol
LogP21.75
Rot. Bonds9

About 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (PubChem CID 161046062) has the molecular formula C101H71Br2N18O3+ and a molecular weight of 1744.61 g/mol. Its IUPAC name is 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
PubChem CID161046062
Molecular FormulaC101H71Br2N18O3+
Molecular Weight1744.61 g/mol
Exact Mass1741.43
IUPAC Name2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESBrc1cc(Br)c2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.NCC(=O)n1c(-c2c[nH]c3ccccc23)[nH+]c2c3cc(N)ccc3c3ccccc3c21.NCC(=O)n1cc(-c2nc3c4cc(N)ccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1
InChIInChI=1S/C29H20N4O.2C25H19N5O.C22H12Br2N4/c1-2-6-18(7-3-1)17-34-19-10-11-25-22(14-19)24(16-32-25)26-15-23-20-8-4-12-30-28(20)29-21(27(23)33-26)9-5-13-31-29;26-12-22(31)30-24-18-7-2-1-5-15(18)16-10-9-14(27)11-19(16)23(24)29-25(30)20-13-28-21-8-4-3-6-17(20)21;26-12-22(31)30-13-20(17-6-3-4-8-21(17)30)25-28-23-18-7-2-1-5-15(18)16-10-9-14(27)11-19(16)24(23)29-25;23-11-7-14-16(10-27-20(14)17(24)8-11)18-9-15-12-3-1-5-25-21(12)22-13(19(15)28-18)4-2-6-26-22/h1-14,16,32H,15,17H2;1-11,13,28H,12,26-27H2;1-11,13H,12,26-27H2,(H,28,29);1-8,10,27H,9H2/p+1
InChIKeyZNJUHGZJDZFIET-UHFFFAOYSA-O
XLogP21.75
TPSA323.78 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.61
LogP ≤ 521.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline with MolForge

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Related Compounds

3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 161272819
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 157262420
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 157425153
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;2-(3H-inden-1-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 157512647
2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 157795829
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1H-indol-3-yl)-1H-imidazo[4,5-f][4,7]phenanthroline;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate
CID 158660975
1-(azepan-1-yl)-2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]ethanone;2-(1-cyclopentylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;2-(5-methoxy-1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-propan-2-ylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 158802978
2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-1-yl]ethanone;1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]propan-1-one;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 159583305
2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 159718153
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 159947280
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;5-bromo-3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 160268444
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;3-[4,5-bis(3-iodophenyl)-3H-pyrrol-2-yl]-5-bromo-1H-indole;5-bromo-3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 160318245

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The IUPAC name of 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (CID 161046062) is 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is Brc1cc(Br)c2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.NCC(=O)n1c(-c2c[nH]c3ccccc23)[nH+]c2c3cc(N)ccc3c3ccccc3c21.NCC(=O)n1cc(-c2nc3c4cc(N)ccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1.
What is the InChIKey of 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The InChIKey is ZNJUHGZJDZFIET-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H20N4O.2C25H19N5O.C22H12Br2N4/c1-2-6-18(7-3-1)17-34-19-10-11-25-22(14-19)24(16-32-25)26-15-23-20-8-4-12-30-28(20)29-21(27(23)33-26)9-5-13-31-29;26-12-22(31)30-24-18-7-2-1-5-15(18)16-10-9-14(27)11-19(16)23(24)29-25(30)20-13-28-21-8-4-3-6-17(20)21;26-12-22(31)30-13-20(17-6-3-4-8-21(17)30)25-28-23-18-7-2-1-5-15(18)16-10-9-14(27)11-19(16)24(23)29-25;23-11-7-14-16(10-27-20(14)17(24)8-11)18-9-15-12-3-1-5-25-21(12)22-13(19(15)28-18)4-2-6-26-22/h1-14,16,32H,15,17H2;1-11,13,28H,12,26-27H2;1-11,13H,12,26-27H2,(H,28,29);1-8,10,27H,9H2/p+1.
What are the key properties of 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline has a molecular weight of 1744.61 g/mol, XLogP of 21.75, 9 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-amino-2-(1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-ium-1-yl]ethanone;2-amino-1-[3-(5-amino-1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]ethanone;2-(5,7-dibromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 161046062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).