5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine

C153H127N15O5 — CID 159873374

About 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine

5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 159873374) has the molecular formula C153H127N15O5 and a molecular weight of 2255.80 g/mol. Its IUPAC name is 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 159873374
• Molecular Formula: C153H127N15O5
• Molecular Weight: 2255.80 g/mol
• Exact Mass: 2254.01
• IUPAC Name: 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
• SMILES: CCC(C)c1cccc(-c2cc(C)c3c(n2)c2cccc(C)c2n3-c2nc(-n3c4c(C)cccc4c4nc(-c5cccc(C(C)CC)c5)cc(C)c43)nc(-n3c4c(C)cccc4c4nc(-c5cccc(C(C)CC)c5)cc(C)c43)n2)c1.COCC(C)OCC(C)Oc1cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)c1
• InChI: InChI=1S/C81H58N6O5.C72H69N9/c1-49(47-88-3)89-48-50(2)90-59-43-55(68-32-36-72-74(84-68)66-45-57(30-34-70(66)91-72)86-78-60(51-18-8-4-9-19-51)26-16-28-64(78)76-80(86)62(38-40-82-76)53-22-12-6-13-23-53)42-56(44-59)69-33-37-73-75(85-69)67-46-58(31-35-71(67)92-73)87-79-61(52-20-10-5-11-21-52)27-17-29-65(79)77-81(87)63(39-41-83-77)54-24-14-7-15-25-54;1-13-40(4)49-25-19-28-52(37-49)58-34-46(10)67-61(73-58)55-31-16-22-43(7)64(55)79(67)70-76-71(80-65-44(8)23-17-32-56(65)62-68(80)47(11)35-59(74-62)53-29-20-26-50(38-53)41(5)14-2)78-72(77-70)81-66-45(9)24-18-33-57(66)63-69(81)48(12)36-60(75-63)54-30-21-27-51(39-54)42(6)15-3/h4-46,49-50H,47-48H2,1-3H3;16-42H,13-15H2,1-12H3
• InChIKey: NSPBLAHEIPTCET-UHFFFAOYSA-N
• XLogP: 38.82
• TPSA: 207.52 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2255.80
LogP ≤ 5	38.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 159873374) is 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine is CCC(C)c1cccc(-c2cc(C)c3c(n2)c2cccc(C)c2n3-c2nc(-n3c4c(C)cccc4c4nc(-c5cccc(C(C)CC)c5)cc(C)c43)nc(-n3c4c(C)cccc4c4nc(-c5cccc(C(C)CC)c5)cc(C)c43)n2)c1.COCC(C)OCC(C)Oc1cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)c1.

What is the InChIKey of 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is NSPBLAHEIPTCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H58N6O5.C72H69N9/c1-49(47-88-3)89-48-50(2)90-59-43-55(68-32-36-72-74(84-68)66-45-57(30-34-70(66)91-72)86-78-60(51-18-8-4-9-19-51)26-16-28-64(78)76-80(86)62(38-40-82-76)53-22-12-6-13-23-53)42-56(44-59)69-33-37-73-75(85-69)67-46-58(31-35-71(67)92-73)87-79-61(52-20-10-5-11-21-52)27-17-29-65(79)77-81(87)63(39-41-83-77)54-24-14-7-15-25-54;1-13-40(4)49-25-19-28-52(37-49)58-34-46(10)67-61(73-58)55-31-16-22-43(7)64(55)79(67)70-76-71(80-65-44(8)23-17-32-56(65)62-68(80)47(11)35-59(74-62)53-29-20-26-50(38-53)41(5)14-2)78-72(77-70)81-66-45(9)24-18-33-57(66)63-69(81)48(12)36-60(75-63)54-30-21-27-51(39-54)42(6)15-3/h4-46,49-50H,47-48H2,1-3H3;16-42H,13-15H2,1-12H3.

What are the key properties of 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?

5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 2255.80 g/mol, XLogP of 38.82, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4,6-bis[2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indol-5-yl]-1,3,5-triazin-2-yl]-2-(3-butan-2-ylphenyl)-4,6-dimethylpyrido[3,2-b]indole;8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 159873374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).