2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine

C54H37N5 — CID 165151765

About 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine (PubChem CID 165151765) has the molecular formula C54H37N5 and a molecular weight of 755.93 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine
• PubChem CID: 165151765
• Molecular Formula: C54H37N5
• Molecular Weight: 755.93 g/mol
• Exact Mass: 755.30
• IUPAC Name: 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7ncccn7)ccc65)cc4)n3)cc21
• InChI: InChI=1S/C54H37N5/c1-54(2)46-16-9-8-13-38(46)39-24-22-37(31-47(39)54)53-58-51(33-11-4-3-5-12-33)57-52(59-53)34-19-17-32(18-20-34)35-21-25-42-44(29-35)48-40-14-6-7-15-41(40)49(42)45-30-36(23-26-43(45)48)50-55-27-10-28-56-50/h3-31,48-49H,1-2H3
• InChIKey: AUTMJJGSJZNBFC-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.93
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine?

The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine (CID 165151765) is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7ncccn7)ccc65)cc4)n3)cc21.

What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine?

The InChIKey is AUTMJJGSJZNBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N5/c1-54(2)46-16-9-8-13-38(46)39-24-22-37(31-47(39)54)53-58-51(33-11-4-3-5-12-33)57-52(59-53)34-19-17-32(18-20-34)35-21-25-42-44(29-35)48-40-14-6-7-15-41(40)49(42)45-30-36(23-26-43(45)48)50-55-27-10-28-56-50/h3-31,48-49H,1-2H3.

What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine?

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine has a molecular weight of 755.93 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-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)phenyl]-1,3,5-triazine is sourced from PubChem (CID 165151765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).