2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine

C94H50N6O4 — CID 155470980

About 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine

2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine (PubChem CID 155470980) has the molecular formula C94H50N6O4 and a molecular weight of 1327.47 g/mol. Its IUPAC name is 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 155470980
• Molecular Formula: C94H50N6O4
• Molecular Weight: 1327.47 g/mol
• Exact Mass: 1326.39
• IUPAC Name: 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6cc(-c8cccc9c8oc8cccc(-c%10ncnc(-c%11cccc%12oc%13ccc(-c%14ccc%15c(ccc%16c%17ccccc%17ccc%15%16)c%14)cc%13c%11%12)n%10)c89)ccc6-7)cc5c34)n2)cc1
• InChI: InChI=1S/C94H50N6O4/c1-2-15-52(16-3-1)90-97-93(100-94(98-90)74-27-10-22-69-65-18-6-7-28-78(65)103-89(69)74)73-26-13-30-82-87(73)77-49-56(37-45-80(77)102-82)60-42-43-68-64-41-35-57(48-75(64)67-21-9-20-66(60)84(67)68)61-19-8-23-70-85-71(24-12-31-83(85)104-88(61)70)91-95-50-96-92(99-91)72-25-11-29-81-86(72)76-47-54(36-44-79(76)101-81)53-33-38-59-55(46-53)34-40-62-58-17-5-4-14-51(58)32-39-63(59)62/h1-50H
• InChIKey: UAEMGGHDSFOTLH-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 129.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.47
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine (CID 155470980) is 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6cc(-c8cccc9c8oc8cccc(-c%10ncnc(-c%11cccc%12oc%13ccc(-c%14ccc%15c(ccc%16c%17ccccc%17ccc%15%16)c%14)cc%13c%11%12)n%10)c89)ccc6-7)cc5c34)n2)cc1.

What is the InChIKey of 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine?

The InChIKey is UAEMGGHDSFOTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H50N6O4/c1-2-15-52(16-3-1)90-97-93(100-94(98-90)74-27-10-22-69-65-18-6-7-28-78(65)103-89(69)74)73-26-13-30-82-87(73)77-49-56(37-45-80(77)102-82)60-42-43-68-64-41-35-57(48-75(64)67-21-9-20-66(60)84(67)68)61-19-8-23-70-85-71(24-12-31-83(85)104-88(61)70)91-95-50-96-92(99-91)72-25-11-29-81-86(72)76-47-54(36-44-79(76)101-81)53-33-38-59-55(46-53)34-40-62-58-17-5-4-14-51(58)32-39-63(59)62/h1-50H.

What are the key properties of 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine?

2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine has a molecular weight of 1327.47 g/mol, XLogP of 25.25, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155470980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).