2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

C93H61Br4N17O — CID 158256611

IUPAC2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESBrc1ccc2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.NCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.Nc1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1
InChIInChI=1S/C25H18BrN5O.2C23H15BrN4.C22H13BrN4/c26-13-5-8-21-18(9-13)20(12-28-21)25-30-23-17-4-2-1-3-15(17)16-7-6-14(29-22(32)11-27)10-19(16)24(23)31-25;24-12-5-8-20-17(9-12)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-6-13(25)10-18(15)22(21)28-23;24-12-5-8-20-18(9-12)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-10-13(25)6-7-16(17)22(21)28-23;23-12-5-6-18-15(9-12)17(11-26-18)19-10-16-13-3-1-7-24-21(13)22-14(20(16)27-19)4-2-8-25-22/h1-10,12,28H,11,27H2,(H,29,32)(H,30,31);2*1-11,26H,25H2,(H,27,28);1-9,11,26H,10H2
InChIKeyGHIZXTCKWXWYQZ-UHFFFAOYSA-N
MW1752.24 g/mol
LogP24.11
Rot. Bonds6

About 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (PubChem CID 158256611) has the molecular formula C93H61Br4N17O and a molecular weight of 1752.24 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
PubChem CID158256611
Molecular FormulaC93H61Br4N17O
Molecular Weight1752.24 g/mol
Exact Mass1747.20
IUPAC Name2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESBrc1ccc2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.NCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.Nc1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1
InChIInChI=1S/C25H18BrN5O.2C23H15BrN4.C22H13BrN4/c26-13-5-8-21-18(9-13)20(12-28-21)25-30-23-17-4-2-1-3-15(17)16-7-6-14(29-22(32)11-27)10-19(16)24(23)31-25;24-12-5-8-20-17(9-12)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-6-13(25)10-18(15)22(21)28-23;24-12-5-8-20-18(9-12)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-10-13(25)6-7-16(17)22(21)28-23;23-12-5-6-18-15(9-12)17(11-26-18)19-10-16-13-3-1-7-24-21(13)22-14(20(16)27-19)4-2-8-25-22/h1-10,12,28H,11,27H2,(H,29,32)(H,30,31);2*1-11,26H,25H2,(H,27,28);1-9,11,26H,10H2
InChIKeyGHIZXTCKWXWYQZ-UHFFFAOYSA-N
XLogP24.11
TPSA294.50 Ų
H-Bond Donors11
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001752.24
LogP ≤ 524.11
H-Bond Donors ≤ 511
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-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 12001179
2-[5-bromo-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 12001452
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
CID 58882242
N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine
CID 58882267
2-amino-1-[2-(5-bromo-1H-indol-3-yl)phenanthro[9,10-d]imidazol-3-yl]ethanone
CID 58882284
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
N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882313
N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882318
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]acetamide
CID 58882330
2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-3H-phenanthro[9,10-d]imidazol-6-amine
CID 58882342
2-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
CID 89232049
N'-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-N-phenylmethanediamine
CID 117930245

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The IUPAC name of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (CID 158256611) is 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is Brc1ccc2[nH]cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c2c1.NCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.Nc1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.
What is the InChIKey of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The InChIKey is GHIZXTCKWXWYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN5O.2C23H15BrN4.C22H13BrN4/c26-13-5-8-21-18(9-13)20(12-28-21)25-30-23-17-4-2-1-3-15(17)16-7-6-14(29-22(32)11-27)10-19(16)24(23)31-25;24-12-5-8-20-17(9-12)19(11-26-20)23-27-21-16-4-2-1-3-14(16)15-7-6-13(25)10-18(15)22(21)28-23;24-12-5-8-20-18(9-12)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-10-13(25)6-7-16(17)22(21)28-23;23-12-5-6-18-15(9-12)17(11-26-18)19-10-16-13-3-1-7-24-21(13)22-14(20(16)27-19)4-2-8-25-22/h1-10,12,28H,11,27H2,(H,29,32)(H,30,31);2*1-11,26H,25H2,(H,27,28);1-9,11,26H,10H2.
What are the key properties of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline has a molecular weight of 1752.24 g/mol, XLogP of 24.11, 6 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 158256611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).