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

C51H34N4O — CID 163922728

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

5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163922728) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 163922728
• Molecular Formula: C51H34N4O
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.27
• IUPAC Name: 5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
• SMILES: C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21
• InChI: InChI=1S/C51H34N4O/c1-4-12-33(13-5-1)35-20-22-38(23-21-35)50-52-49(37-16-8-3-9-17-37)53-51(54-50)39-26-31-46-43(32-39)41-29-30-45-47(48(41)56-46)42-18-10-11-19-44(42)55(45)40-27-24-36(25-28-40)34-14-6-2-7-15-34/h1-32,41,48H
• InChIKey: GVROABMCQWHOHZ-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.86
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163922728) is 5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

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

The canonical SMILES for 5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21.

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

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

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

5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163922728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).