2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine

C100H69Br3N16O7 — CID 158231918

IUPAC2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine
SMILESNCc1cccc(C2=Nc3c(c4ccccc4c4ccccc34)C2)c1.Nc1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc(N)ccc1-2.O=C(O)c1ccccc1C(=O)Nc1ccc2c3ccccc3c3nc(-c4c[nH]c5ccc(Br)cc45)[nH]c3c2c1.O=[N+]([O-])c1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C31H19BrN4O3.C23H14BrN5O4.C23H18BrN5.C23H18N2/c32-16-9-12-26-23(13-16)25(15-33-26)29-35-27-20-6-2-1-5-18(20)19-11-10-17(14-24(19)28(27)36-29)34-30(37)21-7-3-4-8-22(21)31(38)39;24-11-1-6-20-16(7-11)19(10-25-20)23-26-21-17-8-12(28(30)31)2-4-14(17)15-5-3-13(29(32)33)9-18(15)22(21)27-23;24-11-1-6-20-16(7-11)19(10-27-20)23-28-21-17-8-12(25)2-4-14(17)15-5-3-13(26)9-18(15)22(21)29-23;24-14-15-6-5-7-16(12-15)22-13-21-19-10-2-1-8-17(19)18-9-3-4-11-20(18)23(21)25-22/h1-15,33H,(H,34,37)(H,35,36)(H,38,39);1-10,21-22,25H,(H,26,27);1-10,21-22,27H,25-26H2,(H,28,29);1-12H,13-14,24H2
InChIKeyGEMBTEUBCJMZOJ-UHFFFAOYSA-N
MW1846.47 g/mol
LogP23.33
Rot. Bonds10

About 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine

2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine (PubChem CID 158231918) has the molecular formula C100H69Br3N16O7 and a molecular weight of 1846.47 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine
PubChem CID158231918
Molecular FormulaC100H69Br3N16O7
Molecular Weight1846.47 g/mol
Exact Mass1842.31
IUPAC Name2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine
SMILESNCc1cccc(C2=Nc3c(c4ccccc4c4ccccc34)C2)c1.Nc1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc(N)ccc1-2.O=C(O)c1ccccc1C(=O)Nc1ccc2c3ccccc3c3nc(-c4c[nH]c5ccc(Br)cc45)[nH]c3c2c1.O=[N+]([O-])c1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C31H19BrN4O3.C23H14BrN5O4.C23H18BrN5.C23H18N2/c32-16-9-12-26-23(13-16)25(15-33-26)29-35-27-20-6-2-1-5-18(20)19-11-10-17(14-24(19)28(27)36-29)34-30(37)21-7-3-4-8-22(21)31(38)39;24-11-1-6-20-16(7-11)19(10-25-20)23-26-21-17-8-12(28(30)31)2-4-14(17)15-5-3-13(29(32)33)9-18(15)22(21)27-23;24-11-1-6-20-16(7-11)19(10-27-20)23-28-21-17-8-12(25)2-4-14(17)15-5-3-13(26)9-18(15)22(21)29-23;24-14-15-6-5-7-16(12-15)22-13-21-19-10-2-1-8-17(19)18-9-3-4-11-20(18)23(21)25-22/h1-15,33H,(H,34,37)(H,35,36)(H,38,39);1-10,21-22,25H,(H,26,27);1-10,21-22,27H,25-26H2,(H,28,29);1-12H,13-14,24H2
InChIKeyGEMBTEUBCJMZOJ-UHFFFAOYSA-N
XLogP23.33
TPSA367.93 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.47
LogP ≤ 523.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine 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-5-carboxylic acid
CID 58882263
2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid
CID 58882316
2-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]isoindole-1,3-dione
CID 58882345
2-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]isoindole-1,3-dione
CID 136014609
2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid
CID 136014615
CID 136600224
CID 136600224
2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(3-isocyanophenyl)-1H-phenanthro[9,10-d]imidazole
CID 157319711
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(4-bromophenyl)-1H-phenanthro[9,10-d]imidazole;tert-butyl (3S)-3-amino-5-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[10,9-b]pyrrol-10-yl]-4-oxopentanoate
CID 157433181
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(4-bromophenyl)-1H-phenanthro[9,10-d]imidazole;tert-butyl (3S)-3-amino-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoate
CID 157894813
5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-7-nitro-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carbaldehyde;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;1-[2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea
CID 157933985
2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole;tert-butyl (3R)-3-amino-5-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]-4-oxopentanoate;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;2-methyl-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
CID 157983599
1-amino-3-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]propan-2-one;5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid;1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea;2-(5-nitro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 158567007

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine (CID 158231918) is 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine is NCc1cccc(C2=Nc3c(c4ccccc4c4ccccc34)C2)c1.Nc1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc(N)ccc1-2.O=C(O)c1ccccc1C(=O)Nc1ccc2c3ccccc3c3nc(-c4c[nH]c5ccc(Br)cc45)[nH]c3c2c1.O=[N+]([O-])c1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine?
The InChIKey is GEMBTEUBCJMZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrN4O3.C23H14BrN5O4.C23H18BrN5.C23H18N2/c32-16-9-12-26-23(13-16)25(15-33-26)29-35-27-20-6-2-1-5-18(20)19-11-10-17(14-24(19)28(27)36-29)34-30(37)21-7-3-4-8-22(21)31(38)39;24-11-1-6-20-16(7-11)19(10-25-20)23-26-21-17-8-12(28(30)31)2-4-14(17)15-5-3-13(29(32)33)9-18(15)22(21)27-23;24-11-1-6-20-16(7-11)19(10-27-20)23-28-21-17-8-12(25)2-4-14(17)15-5-3-13(26)9-18(15)22(21)29-23;24-14-15-6-5-7-16(12-15)22-13-21-19-10-2-1-8-17(19)18-9-3-4-11-20(18)23(21)25-22/h1-15,33H,(H,34,37)(H,35,36)(H,38,39);1-10,21-22,25H,(H,26,27);1-10,21-22,27H,25-26H2,(H,28,29);1-12H,13-14,24H2.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine?
2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine has a molecular weight of 1846.47 g/mol, XLogP of 23.33, 10 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;[3-(3H-phenanthro[9,10-b]pyrrol-2-yl)phenyl]methanamine is sourced from PubChem (CID 158231918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).