2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine

C96H64N6O2 — CID 163811041

About 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine

2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 163811041) has the molecular formula C96H64N6O2 and a molecular weight of 1333.61 g/mol. Its IUPAC name is 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
• PubChem CID: 163811041
• Molecular Formula: C96H64N6O2
• Molecular Weight: 1333.61 g/mol
• Exact Mass: 1332.51
• IUPAC Name: 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
• SMILES: CC1C=Cc2c(oc3c(-c4nc(-c5cccc(-c6cccc(-c7ccc8oc9c(C%10N=C(c%11ccccc%11-c%11cccc%12ccccc%11%12)N=C(c%11cccc(-c%12cc%13ccccc%13c%13ccccc%12%13)c%11)N%10C)cccc9c8c7)c6)c5)nc(-c5ccccc5-c5cccc6ccccc56)n4)cccc23)C1
• InChI: InChI=1S/C96H64N6O2/c1-58-48-50-78-79-44-20-46-83(89(79)104-88(78)52-58)94-98-91(97-92(99-94)81-40-13-11-37-75(81)73-42-18-25-59-22-3-6-33-69(59)73)67-31-16-29-63(54-67)61-27-15-28-62(53-61)64-49-51-87-86(56-64)80-45-21-47-84(90(80)103-87)96-101-93(82-41-14-12-38-76(82)74-43-19-26-60-23-4-7-34-70(60)74)100-95(102(96)2)68-32-17-30-65(55-68)85-57-66-24-5-8-35-71(66)72-36-9-10-39-77(72)85/h3-51,53-58,96H,52H2,1-2H3
• InChIKey: NNGQGLJJJNOPKE-UHFFFAOYSA-N
• XLogP: 24.51
• TPSA: 92.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1333.61
LogP ≤ 5	24.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 163811041) is 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine is CC1C=Cc2c(oc3c(-c4nc(-c5cccc(-c6cccc(-c7ccc8oc9c(C%10N=C(c%11ccccc%11-c%11cccc%12ccccc%11%12)N=C(c%11cccc(-c%12cc%13ccccc%13c%13ccccc%12%13)c%11)N%10C)cccc9c8c7)c6)c5)nc(-c5ccccc5-c5cccc6ccccc56)n4)cccc23)C1.

What is the InChIKey of 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine?

The InChIKey is NNGQGLJJJNOPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H64N6O2/c1-58-48-50-78-79-44-20-46-83(89(79)104-88(78)52-58)94-98-91(97-92(99-94)81-40-13-11-37-75(81)73-42-18-25-59-22-3-6-33-69(59)73)67-31-16-29-63(54-67)61-27-15-28-62(53-61)64-49-51-87-86(56-64)80-45-21-47-84(90(80)103-87)96-101-93(82-41-14-12-38-76(82)74-43-19-26-60-23-4-7-34-70(60)74)100-95(102(96)2)68-32-17-30-65(55-68)85-57-66-24-5-8-35-71(66)72-36-9-10-39-77(72)85/h3-51,53-58,96H,52H2,1-2H3.

What are the key properties of 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine?

2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 1333.61 g/mol, XLogP of 24.51, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163811041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).