12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole

C136H86N12O2 — CID 159431867

About 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 159431867) has the molecular formula C136H86N12O2 and a molecular weight of 1920.27 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 159431867
• Molecular Formula: C136H86N12O2
• Molecular Weight: 1920.27 g/mol
• Exact Mass: 1918.70
• IUPAC Name: 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)n2)cc1
• InChI: InChI=1S/C52H34N4.C45H28N4O.C39H24N4O/c1-6-18-35(19-7-1)38-30-31-47-43(32-38)44-33-42-41-28-16-17-29-45(41)52(39-24-12-4-13-25-39,40-26-14-5-15-27-40)46(42)34-48(44)56(47)51-54-49(36-20-8-2-9-21-36)53-50(55-51)37-22-10-3-11-23-37;1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-19-12-20-34(28-33)49-39-23-9-7-21-35(39)37-25-26-38-36-22-8-10-24-40(36)50-42(38)41(37)49;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-33-17-9-7-15-29(33)31-23-24-32-30-16-8-10-18-34(30)44-36(32)35(31)43/h1-34H;1-28H;1-24H
• InChIKey: LRBVJRXBCNTKQG-UHFFFAOYSA-N
• XLogP: 33.74
• TPSA: 157.08 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.27
LogP ≤ 5	33.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?

The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 159431867) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.

What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?

The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)n2)cc1.

What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?

The InChIKey is LRBVJRXBCNTKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C45H28N4O.C39H24N4O/c1-6-18-35(19-7-1)38-30-31-47-43(32-38)44-33-42-41-28-16-17-29-45(41)52(39-24-12-4-13-25-39,40-26-14-5-15-27-40)46(42)34-48(44)56(47)51-54-49(36-20-8-2-9-21-36)53-50(55-51)37-22-10-3-11-23-37;1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-19-12-20-34(28-33)49-39-23-9-7-21-35(39)37-25-26-38-36-22-8-10-24-40(36)50-42(38)41(37)49;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-33-17-9-7-15-29(33)31-23-24-32-30-16-8-10-18-34(30)44-36(32)35(31)43/h1-34H;1-28H;1-24H.

What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1920.27 g/mol, XLogP of 33.74, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 159431867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).