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

C88H58BBrN12O2 — CID 161193801

IUPAC8-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
SMILESBrc1ccc2c(c1)c1ncccc1n2-c1ccccc1.OB(O)c1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C44H28N6.C27H19BN4O2.C17H11BrN2/c1-4-13-29(14-5-1)42-46-43(30-15-6-2-7-16-30)48-44(47-42)50-37-20-11-10-19-34(37)35-24-22-32(28-40(35)50)31-23-25-38-36(27-31)41-39(21-12-26-45-41)49(38)33-17-8-3-9-18-33;33-28(34)20-15-16-22-21-13-7-8-14-23(21)32(24(22)17-20)27-30-25(18-9-3-1-4-10-18)29-26(31-27)19-11-5-2-6-12-19;18-12-8-9-15-14(11-12)17-16(7-4-10-19-17)20(15)13-5-2-1-3-6-13/h1-28H;1-17,33-34H;1-11H
InChIKeyUUBQKVHISVUIMG-UHFFFAOYSA-N
MW1406.23 g/mol
LogP19.39
Rot. Bonds10

About 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

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 (PubChem CID 161193801) has the molecular formula C88H58BBrN12O2 and a molecular weight of 1406.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID161193801
Molecular FormulaC88H58BBrN12O2
Molecular Weight1406.23 g/mol
Exact Mass1404.41
IUPAC Name8-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
SMILESBrc1ccc2c(c1)c1ncccc1n2-c1ccccc1.OB(O)c1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C44H28N6.C27H19BN4O2.C17H11BrN2/c1-4-13-29(14-5-1)42-46-43(30-15-6-2-7-16-30)48-44(47-42)50-37-20-11-10-19-34(37)35-24-22-32(28-40(35)50)31-23-25-38-36(27-31)41-39(21-12-26-45-41)49(38)33-17-8-3-9-18-33;33-28(34)20-15-16-22-21-13-7-8-14-23(21)32(24(22)17-20)27-30-25(18-9-3-1-4-10-18)29-26(31-27)19-11-5-2-6-12-19;18-12-8-9-15-14(11-12)17-16(7-4-10-19-17)20(15)13-5-2-1-3-6-13/h1-28H;1-17,33-34H;1-11H
InChIKeyUUBQKVHISVUIMG-UHFFFAOYSA-N
XLogP19.39
TPSA163.30 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.23
LogP ≤ 519.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 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-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid
CID 159100992
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
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
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
8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 129253538
5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587723
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031
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
1-bromo-4-phenylbenzene;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161278194
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2c(c1)c1ncccc1n2-c1ccccc1.OB(O)c1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)cc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is UUBQKVHISVUIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6.C27H19BN4O2.C17H11BrN2/c1-4-13-29(14-5-1)42-46-43(30-15-6-2-7-16-30)48-44(47-42)50-37-20-11-10-19-34(37)35-24-22-32(28-40(35)50)31-23-25-38-36(27-31)41-39(21-12-26-45-41)49(38)33-17-8-3-9-18-33;33-28(34)20-15-16-22-21-13-7-8-14-23(21)32(24(22)17-20)27-30-25(18-9-3-1-4-10-18)29-26(31-27)19-11-5-2-6-12-19;18-12-8-9-15-14(11-12)17-16(7-4-10-19-17)20(15)13-5-2-1-3-6-13/h1-28H;1-17,33-34H;1-11H.
What are the key properties of 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?
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 has a molecular weight of 1406.23 g/mol, XLogP of 19.39, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161193801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).