9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

C96H64N8O2 — CID 163984558

About 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163984558) has the molecular formula C96H64N8O2 and a molecular weight of 1361.62 g/mol. Its IUPAC name is 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 163984558
• Molecular Formula: C96H64N8O2
• Molecular Weight: 1361.62 g/mol
• Exact Mass: 1360.52
• IUPAC Name: 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
• SMILES: C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)ccc3OC2c2c1n(-c1ccccc1)c1ccccc21.C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3OC2c2c1n(-c1cccc(-c3ccccc3)c1)c1ccccc21
• InChI: InChI=1S/C51H34N4O.C45H30N4O/c1-5-15-33(16-6-1)37-29-38(34-17-7-2-8-18-34)31-39(30-37)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-25-28-46-43(32-36)41-26-27-45-47(48(41)56-46)42-23-13-14-24-44(42)55(45)40-21-11-4-12-22-40;1-4-13-29(14-5-1)32-19-12-20-34(27-32)49-38-22-11-10-21-36(38)41-39(49)25-24-35-37-28-33(23-26-40(37)50-42(35)41)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-32,41,48H;1-28,35,42H
• InChIKey: TVCVRSHLPHQFMO-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 105.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1361.62
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163984558) is 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)ccc3OC2c2c1n(-c1ccccc1)c1ccccc21.C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3OC2c2c1n(-c1cccc(-c3ccccc3)c1)c1ccccc21.

What is the InChIKey of 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

The InChIKey is TVCVRSHLPHQFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O.C45H30N4O/c1-5-15-33(16-6-1)37-29-38(34-17-7-2-8-18-34)31-39(30-37)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-25-28-46-43(32-36)41-26-27-45-47(48(41)56-46)42-23-13-14-24-44(42)55(45)40-21-11-4-12-22-40;1-4-13-29(14-5-1)32-19-12-20-34(27-32)49-38-22-11-10-21-36(38)41-39(49)25-24-35-37-28-33(23-26-40(37)50-42(35)41)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-32,41,48H;1-28,35,42H.

What are the key properties of 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1361.62 g/mol, XLogP of 23.12, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163984558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).