2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine

C134H94Br5N21 — CID 159331320

IUPAC2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine
SMILESBrc1ccc2[nH]cc(CNc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CNc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.NCc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.Nc1ccc2c(c1)c1cc(N)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21
InChIInChI=1S/C32H21Br2N5.C32H22BrN5.C25H18BrN3.C23H16BrN5.C22H17N3/c33-18-5-9-28-24(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;33-19-9-12-29-25(13-19)18(16-35-29)15-34-20-10-11-24-26(14-20)21-5-1-2-7-23(21)30-31(24)38-32(37-30)27-17-36-28-8-4-3-6-22(27)28;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;23-13-14-6-5-7-15(12-14)22-24-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)21(20)25-22/h1-13,15-16,35-37H,14H2,(H,38,39);1-14,16-17,34-36H,15H2,(H,37,38);3-12,27H,1-2H3,(H,28,29);1-10,27H,25-26H2,(H,28,29);1-12H,13,23H2,(H,24,25)
InChIKeyLEZTYMKJQZYQMH-UHFFFAOYSA-N
MW2397.89 g/mol
LogP36.85
Rot. Bonds12

About 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine

2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine (PubChem CID 159331320) has the molecular formula C134H94Br5N21 and a molecular weight of 2397.89 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine
PubChem CID159331320
Molecular FormulaC134H94Br5N21
Molecular Weight2397.89 g/mol
Exact Mass2391.39
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine
SMILESBrc1ccc2[nH]cc(CNc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CNc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.NCc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.Nc1ccc2c(c1)c1cc(N)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21
InChIInChI=1S/C32H21Br2N5.C32H22BrN5.C25H18BrN3.C23H16BrN5.C22H17N3/c33-18-5-9-28-24(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;33-19-9-12-29-25(13-19)18(16-35-29)15-34-20-10-11-24-26(14-20)21-5-1-2-7-23(21)30-31(24)38-32(37-30)27-17-36-28-8-4-3-6-22(27)28;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;23-13-14-6-5-7-15(12-14)22-24-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)21(20)25-22/h1-13,15-16,35-37H,14H2,(H,38,39);1-14,16-17,34-36H,15H2,(H,37,38);3-12,27H,1-2H3,(H,28,29);1-10,27H,25-26H2,(H,28,29);1-12H,13,23H2,(H,24,25)
InChIKeyLEZTYMKJQZYQMH-UHFFFAOYSA-N
XLogP36.85
TPSA340.26 Ų
H-Bond Donors16
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.89
LogP ≤ 536.85
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1010

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)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882286
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane
CID 143047895
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
CID 58882242
2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
CID 88972587
2-(5-bromo-1H-indol-3-yl)-N-[(E)-2-(5-bromo-2-methylphenyl)-4-methylhex-2-enyl]-3H-phenanthro[9,10-d]imidazol-6-amine
CID 130458118
CID 89277516
CID 89277516
1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea
CID 58882302
methylhydrazine;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde
CID 143655539
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
2-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3122497
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123
3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde
CID 143655540

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine (CID 159331320) is 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine is Brc1ccc2[nH]cc(CNc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccc(Br)cc56)[nH]c43)c2c1.Brc1ccc2[nH]cc(CNc3ccc4c(c3)c3ccccc3c3nc(-c5c[nH]c6ccccc56)[nH]c43)c2c1.Cc1ccc2c(c1)c1cc(C)ccc1c1[nH]c(-c3c[nH]c4ccc(Br)cc34)nc21.NCc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.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)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine?
The InChIKey is LEZTYMKJQZYQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Br2N5.C32H22BrN5.C25H18BrN3.C23H16BrN5.C22H17N3/c33-18-5-9-28-24(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;33-19-9-12-29-25(13-19)18(16-35-29)15-34-20-10-11-24-26(14-20)21-5-1-2-7-23(21)30-31(24)38-32(37-30)27-17-36-28-8-4-3-6-22(27)28;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;23-13-14-6-5-7-15(12-14)22-24-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)21(20)25-22/h1-13,15-16,35-37H,14H2,(H,38,39);1-14,16-17,34-36H,15H2,(H,37,38);3-12,27H,1-2H3,(H,28,29);1-10,27H,25-26H2,(H,28,29);1-12H,13,23H2,(H,24,25).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine?
2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine has a molecular weight of 2397.89 g/mol, XLogP of 36.85, 12 rotatable bonds, 16 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-6,9-diamine;[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 159331320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).