4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

C55H37N3O2 — CID 163831791

About 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 163831791) has the molecular formula C55H37N3O2 and a molecular weight of 771.92 g/mol. Its IUPAC name is 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
• PubChem CID: 163831791
• Molecular Formula: C55H37N3O2
• Molecular Weight: 771.92 g/mol
• Exact Mass: 771.29
• IUPAC Name: 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
• SMILES: C1=C(c2ccc(-c3cc(C4=NC(c5ccc(-c6ccccc6)cc5)NC(c5ccccc5)=N4)c4c(c3)oc3c5ccccc5ccc34)cc2)C=C2Oc3ccccc3C2C1
• InChI: InChI=1S/C55H37N3O2/c1-3-11-34(12-4-1)35-23-25-40(26-24-35)54-56-53(39-14-5-2-6-15-39)57-55(58-54)47-31-42(33-50-51(47)46-30-27-38-13-7-8-16-43(38)52(46)60-50)37-21-19-36(20-22-37)41-28-29-45-44-17-9-10-18-48(44)59-49(45)32-41/h1-28,30-33,45,54H,29H2,(H,56,57,58)
• InChIKey: OEFLLJJMQUZPEL-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 59.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.92
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?

The IUPAC name of 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 163831791) is 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

What is the SMILES notation for 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?

The canonical SMILES for 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is C1=C(c2ccc(-c3cc(C4=NC(c5ccc(-c6ccccc6)cc5)NC(c5ccccc5)=N4)c4c(c3)oc3c5ccccc5ccc34)cc2)C=C2Oc3ccccc3C2C1.

What is the InChIKey of 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?

The InChIKey is OEFLLJJMQUZPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O2/c1-3-11-34(12-4-1)35-23-25-40(26-24-35)54-56-53(39-14-5-2-6-15-39)57-55(58-54)47-31-42(33-50-51(47)46-30-27-38-13-7-8-16-43(38)52(46)60-50)37-21-19-36(20-22-37)41-28-29-45-44-17-9-10-18-48(44)59-49(45)32-41/h1-28,30-33,45,54H,29H2,(H,56,57,58).

What are the key properties of 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?

4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 771.92 g/mol, XLogP of 13.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 163831791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).