2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine

C47H37N3O — CID 170131534

About 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine

2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 170131534) has the molecular formula C47H37N3O and a molecular weight of 659.83 g/mol. Its IUPAC name is 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 170131534
• Molecular Formula: C47H37N3O
• Molecular Weight: 659.83 g/mol
• Exact Mass: 659.29
• IUPAC Name: 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C/C=C\C=C/C(C)=C/C=C\c1ccc(-c2nc(-c3ccccc3)nc(C3C=Cc4cc(-c5cccc6oc7ccccc7c56)ccc4C3)n2)cc1
• InChI: InChI=1S/C47H37N3O/c1-3-4-6-13-32(2)14-11-15-33-22-24-35(25-23-33)46-48-45(34-16-7-5-8-17-34)49-47(50-46)39-29-27-36-30-38(28-26-37(36)31-39)40-19-12-21-43-44(40)41-18-9-10-20-42(41)51-43/h3-30,39H,31H2,1-2H3/b4-3-,13-6-,15-11-,32-14+
• InChIKey: SQCCZMSPQMDRIA-HXWQZEDXSA-N
• XLogP: 12.22
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.83
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 170131534) is 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine is C/C=C\C=C/C(C)=C/C=C\c1ccc(-c2nc(-c3ccccc3)nc(C3C=Cc4cc(-c5cccc6oc7ccccc7c56)ccc4C3)n2)cc1.

What is the InChIKey of 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is SQCCZMSPQMDRIA-HXWQZEDXSA-N. The full InChI is InChI=1S/C47H37N3O/c1-3-4-6-13-32(2)14-11-15-33-22-24-35(25-23-33)46-48-45(34-16-7-5-8-17-34)49-47(50-46)39-29-27-36-30-38(28-26-37(36)31-39)40-19-12-21-43-44(40)41-18-9-10-20-42(41)51-43/h3-30,39H,31H2,1-2H3/b4-3-,13-6-,15-11-,32-14+.

What are the key properties of 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine?

2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 659.83 g/mol, XLogP of 12.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-[4-[(1Z,3E,5Z,7Z)-4-methylnona-1,3,5,7-tetraenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170131534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).