7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole

C106H68Br5N13 — CID 161314479

IUPAC7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole
SMILESBrc1ccc2c3cnccc3n(-c3ccccc3)c2c1.Brc1ccc2c3ncccc3n(-c3ccc(-c4ccccc4)cc3)c2c1.Brc1ccc2c3ncccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Brc1ccc2c3ncccc3n(-c3ccccc3)c2c1.Brc1ccc2c3ncccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C26H16BrN5.2C23H15BrN2.2C17H11BrN2/c27-19-13-14-20-22(16-19)32(21-12-7-15-28-23(20)21)26-30-24(17-8-3-1-4-9-17)29-25(31-26)18-10-5-2-6-11-18;24-18-11-12-20-22(15-18)26(21-10-5-13-25-23(20)21)19-9-4-8-17(14-19)16-6-2-1-3-7-16;24-18-10-13-20-22(15-18)26(21-7-4-14-25-23(20)21)19-11-8-17(9-12-19)16-5-2-1-3-6-16;18-12-8-9-14-16(11-12)20(13-5-2-1-3-6-13)15-7-4-10-19-17(14)15;18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-16H;2*1-15H;2*1-11H
InChIKeyVJHXWCCUOCRITE-UHFFFAOYSA-N
MW1923.32 g/mol
LogP29.56
Rot. Bonds9

About 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole

7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole (PubChem CID 161314479) has the molecular formula C106H68Br5N13 and a molecular weight of 1923.32 g/mol. Its IUPAC name is 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole
PubChem CID161314479
Molecular FormulaC106H68Br5N13
Molecular Weight1923.32 g/mol
Exact Mass1917.16
IUPAC Name7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole
SMILESBrc1ccc2c3cnccc3n(-c3ccccc3)c2c1.Brc1ccc2c3ncccc3n(-c3ccc(-c4ccccc4)cc3)c2c1.Brc1ccc2c3ncccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Brc1ccc2c3ncccc3n(-c3ccccc3)c2c1.Brc1ccc2c3ncccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C26H16BrN5.2C23H15BrN2.2C17H11BrN2/c27-19-13-14-20-22(16-19)32(21-12-7-15-28-23(20)21)26-30-24(17-8-3-1-4-9-17)29-25(31-26)18-10-5-2-6-11-18;24-18-11-12-20-22(15-18)26(21-10-5-13-25-23(20)21)19-9-4-8-17(14-19)16-6-2-1-3-7-16;24-18-10-13-20-22(15-18)26(21-7-4-14-25-23(20)21)19-11-8-17(9-12-19)16-5-2-1-3-6-16;18-12-8-9-14-16(11-12)20(13-5-2-1-3-6-13)15-7-4-10-19-17(14)15;18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-16H;2*1-15H;2*1-11H
InChIKeyVJHXWCCUOCRITE-UHFFFAOYSA-N
XLogP29.56
TPSA127.77 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001923.32
LogP ≤ 529.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole with MolForge

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Related Compounds

8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-phenylpyrido[4,3-b]indole;8-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 161153615
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58099053
8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
CID 118586796
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
8-bromo-5-phenylpyrido[3,2-b]indole;[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]boronic acid;8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 161193801
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
7-bromo-5-phenylpyrido[4,3-b]indole
CID 129221574
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylpyrido[3,4-b]indole;8-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[4,3-b]indole;5-phenyl-8-(9-phenylcarbazol-2-yl)pyrido[4,3-b]indole;5-phenyl-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[4,3-b]indole
CID 158478880
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole
CID 154606133
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole (CID 161314479) is 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole is Brc1ccc2c3cnccc3n(-c3ccccc3)c2c1.Brc1ccc2c3ncccc3n(-c3ccc(-c4ccccc4)cc3)c2c1.Brc1ccc2c3ncccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Brc1ccc2c3ncccc3n(-c3ccccc3)c2c1.Brc1ccc2c3ncccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole?
The InChIKey is VJHXWCCUOCRITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16BrN5.2C23H15BrN2.2C17H11BrN2/c27-19-13-14-20-22(16-19)32(21-12-7-15-28-23(20)21)26-30-24(17-8-3-1-4-9-17)29-25(31-26)18-10-5-2-6-11-18;24-18-11-12-20-22(15-18)26(21-10-5-13-25-23(20)21)19-9-4-8-17(14-19)16-6-2-1-3-7-16;24-18-10-13-20-22(15-18)26(21-7-4-14-25-23(20)21)19-11-8-17(9-12-19)16-5-2-1-3-6-16;18-12-8-9-14-16(11-12)20(13-5-2-1-3-6-13)15-7-4-10-19-17(14)15;18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-16H;2*1-15H;2*1-11H.
What are the key properties of 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole?
7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole has a molecular weight of 1923.32 g/mol, XLogP of 29.56, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 161314479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).