2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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

C80H56N6 — CID 165151550

About 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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 165151550) has the molecular formula C80H56N6 and a molecular weight of 1101.37 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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: 165151550
• Molecular Formula: C80H56N6
• Molecular Weight: 1101.37 g/mol
• Exact Mass: 1100.46
• IUPAC Name: 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8)n7)ccc65)n4)c3)cc21
• InChI: InChI=1S/C80H56N6/c1-79(2)67-31-15-13-27-57(67)59-37-33-51(45-69(59)79)49-23-17-25-53(41-49)75-81-73(47-19-7-5-8-20-47)83-77(85-75)55-35-39-63-65(43-55)71-61-29-11-12-30-62(61)72(63)66-44-56(36-40-64(66)71)78-84-74(48-21-9-6-10-22-48)82-76(86-78)54-26-18-24-50(42-54)52-34-38-60-58-28-14-16-32-68(58)80(3,4)70(60)46-52/h5-46,71-72H,1-4H3
• InChIKey: MMHIZPVOUNNDCO-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.37
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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 165151550) is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8)n7)ccc65)n4)c3)cc21.

What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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 MMHIZPVOUNNDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56N6/c1-79(2)67-31-15-13-27-57(67)59-37-33-51(45-69(59)79)49-23-17-25-53(41-49)75-81-73(47-19-7-5-8-20-47)83-77(85-75)55-35-39-63-65(43-55)71-61-29-11-12-30-62(61)72(63)66-44-56(36-40-64(66)71)78-84-74(48-21-9-6-10-22-48)82-76(86-78)54-26-18-24-50(42-54)52-34-38-60-58-28-14-16-32-68(58)80(3,4)70(60)46-52/h5-46,71-72H,1-4H3.

What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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 1101.37 g/mol, XLogP of 18.99, 8 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-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-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 165151550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).