2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

C66H41N3O — CID 174361847

About 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 174361847) has the molecular formula C66H41N3O and a molecular weight of 892.07 g/mol. Its IUPAC name is 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
• PubChem CID: 174361847
• Molecular Formula: C66H41N3O
• Molecular Weight: 892.07 g/mol
• Exact Mass: 891.32
• IUPAC Name: 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3oc4cccc(-c5ccc6c(ccc7cc(-c8nc(-c9ccccc9)nc(-c9cccc(C%10(c%11ccccc%11)c%11ccccc%11-c%11ccccc%11%10)c9)n8)ccc76)c5)c4c3c2)cc1
• InChI: InChI=1S/C66H41N3O/c1-4-16-42(17-5-1)44-34-37-60-57(41-44)62-54(26-15-29-61(62)70-60)47-32-35-52-45(38-47)30-31-46-39-49(33-36-53(46)52)65-68-63(43-18-6-2-7-19-43)67-64(69-65)48-20-14-23-51(40-48)66(50-21-8-3-9-22-50)58-27-12-10-24-55(58)56-25-11-13-28-59(56)66/h1-41H
• InChIKey: LBBBOIYZMOOIGK-UHFFFAOYSA-N
• XLogP: 16.78
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.07
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (CID 174361847) is 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3oc4cccc(-c5ccc6c(ccc7cc(-c8nc(-c9ccccc9)nc(-c9cccc(C%10(c%11ccccc%11)c%11ccccc%11-c%11ccccc%11%10)c9)n8)ccc76)c5)c4c3c2)cc1.

What is the InChIKey of 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?

The InChIKey is LBBBOIYZMOOIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O/c1-4-16-42(17-5-1)44-34-37-60-57(41-44)62-54(26-15-29-61(62)70-60)47-32-35-52-45(38-47)30-31-46-39-49(33-36-53(46)52)65-68-63(43-18-6-2-7-19-43)67-64(69-65)48-20-14-23-51(40-48)66(50-21-8-3-9-22-50)58-27-12-10-24-55(58)56-25-11-13-28-59(56)66/h1-41H.

What are the key properties of 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?

2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 892.07 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[7-(8-phenyldibenzofuran-1-yl)phenanthren-2-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174361847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).