2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine

C55H35N5 — CID 165150447

About 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine

2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165150447) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 165150447
• Molecular Formula: C55H35N5
• Molecular Weight: 765.92 g/mol
• Exact Mass: 765.29
• IUPAC Name: 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C55H35N5/c1-4-15-35(16-5-1)52-56-48(39-25-24-34-14-10-11-21-38(34)30-39)33-49(57-52)40-26-28-44-46(31-40)50-42-22-12-13-23-43(42)51(44)47-32-41(27-29-45(47)50)55-59-53(36-17-6-2-7-18-36)58-54(60-55)37-19-8-3-9-20-37/h1-33,50-51H
• InChIKey: DSFACCSNOQGMDQ-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.92
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine (CID 165150447) is 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccc4ccccc4c3)n2)cc1.

What is the InChIKey of 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is DSFACCSNOQGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-4-15-35(16-5-1)52-56-48(39-25-24-34-14-10-11-21-38(34)30-39)33-49(57-52)40-26-28-44-46(31-40)50-42-22-12-13-23-43(42)51(44)47-32-41(27-29-45(47)50)55-59-53(36-17-6-2-7-18-36)58-54(60-55)37-19-8-3-9-20-37/h1-33,50-51H.

What are the key properties of 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine?

2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 765.92 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-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]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165150447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).