6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole

C90H60BBrN10O2 — CID 157242944

About 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole

6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 157242944) has the molecular formula C90H60BBrN10O2 and a molecular weight of 1404.25 g/mol. Its IUPAC name is 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
• PubChem CID: 157242944
• Molecular Formula: C90H60BBrN10O2
• Molecular Weight: 1404.25 g/mol
• Exact Mass: 1402.42
• IUPAC Name: 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
• SMILES: Brc1ccc2c(c1)c1cccnc1n2-c1ccccc1.OB(O)c1ccc2c3ccccc3n(-c3cnc(-c4ccccc4)nc3-c3ccccc3)c2c1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)cc43)c(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C45H29N5.C28H20BN3O2.C17H11BrN2/c1-4-13-30(14-5-1)43-42(29-47-44(48-43)31-15-6-2-7-16-31)50-39-21-11-10-19-35(39)36-24-22-33(28-41(36)50)32-23-25-40-38(27-32)37-20-12-26-46-45(37)49(40)34-17-8-3-9-18-34;33-29(34)21-15-16-23-22-13-7-8-14-24(22)32(25(23)17-21)26-18-30-28(20-11-5-2-6-12-20)31-27(26)19-9-3-1-4-10-19;18-12-8-9-16-15(11-12)14-7-4-10-19-17(14)20(16)13-5-2-1-3-6-13/h1-29H;1-18,33-34H;1-11H
• InChIKey: AVKNOJRMUTWZAX-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 137.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1404.25
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole?

The IUPAC name of 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole (CID 157242944) is 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole.

What is the SMILES notation for 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole?

The canonical SMILES for 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole is Brc1ccc2c(c1)c1cccnc1n2-c1ccccc1.OB(O)c1ccc2c3ccccc3n(-c3cnc(-c4ccccc4)nc3-c3ccccc3)c2c1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)cc43)c(-c3ccccc3)n2)cc1.

What is the InChIKey of 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole?

The InChIKey is AVKNOJRMUTWZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5.C28H20BN3O2.C17H11BrN2/c1-4-13-30(14-5-1)43-42(29-47-44(48-43)31-15-6-2-7-16-31)50-39-21-11-10-19-35(39)36-24-22-33(28-41(36)50)32-23-25-40-38(27-32)37-20-12-26-46-45(37)49(40)34-17-8-3-9-18-34;33-29(34)21-15-16-23-22-13-7-8-14-24(22)32(25(23)17-21)26-18-30-28(20-11-5-2-6-12-20)31-27(26)19-9-3-1-4-10-19;18-12-8-9-16-15(11-12)14-7-4-10-19-17(14)20(16)13-5-2-1-3-6-13/h1-29H;1-18,33-34H;1-11H.

What are the key properties of 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole?

6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole has a molecular weight of 1404.25 g/mol, XLogP of 20.60, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-9-phenylpyrido[2,3-b]indole;[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]boronic acid;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-2-yl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 157242944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).