2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine

C65H44N6 — CID 165150429

About 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine (PubChem CID 165150429) has the molecular formula C65H44N6 and a molecular weight of 909.11 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 165150429
• Molecular Formula: C65H44N6
• Molecular Weight: 909.11 g/mol
• Exact Mass: 908.36
• IUPAC Name: 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)n4)c3)ccc21
• InChI: InChI=1S/C65H44N6/c1-65(2)55-28-15-14-25-47(55)52-36-43(31-34-56(52)65)42-23-16-24-44(35-42)62-67-61(41-21-10-5-11-22-41)70-64(71-62)46-30-33-51-54(38-46)58-49-27-13-12-26-48(49)57(51)53-37-45(29-32-50(53)58)63-68-59(39-17-6-3-7-18-39)66-60(69-63)40-19-8-4-9-20-40/h3-38,57-58H,1-2H3
• InChIKey: UGEOJBLRKPPRLZ-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.11
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine (CID 165150429) is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)n4)c3)ccc21.

What is the InChIKey of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is UGEOJBLRKPPRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N6/c1-65(2)55-28-15-14-25-47(55)52-36-43(31-34-56(52)65)42-23-16-24-44(35-42)62-67-61(41-21-10-5-11-22-41)70-64(71-62)46-30-33-51-54(38-46)58-49-27-13-12-26-48(49)57(51)53-37-45(29-32-50(53)58)63-68-59(39-17-6-3-7-18-39)66-60(69-63)40-19-8-4-9-20-40/h3-38,57-58H,1-2H3.

What are the key properties of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine?

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 909.11 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 165150429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).