5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

C51H34N4O — CID 163966387

About 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163966387) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 163966387
• Molecular Formula: C51H34N4O
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.27
• IUPAC Name: 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
• SMILES: C1=CC2c3c(cccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)OC2c2c1n(-c1ccccc1)c1ccccc21
• InChI: InChI=1S/C51H34N4O/c1-4-14-33(15-5-1)37-18-12-19-38(32-37)51-53-49(35-16-6-2-7-17-35)52-50(54-51)36-28-26-34(27-29-36)40-23-13-25-45-46(40)42-30-31-44-47(48(42)56-45)41-22-10-11-24-43(41)55(44)39-20-8-3-9-21-39/h1-32,42,48H
• InChIKey: DMXWWZVFQBSHGX-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-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163966387) is 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3c(cccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)OC2c2c1n(-c1ccccc1)c1ccccc21.

What is the InChIKey of 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

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

What are the key properties of 5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-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-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163966387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).