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

C61H45N5 — CID 154613773

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

2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 154613773) has the molecular formula C61H45N5 and a molecular weight of 848.07 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 154613773
• Molecular Formula: C61H45N5
• Molecular Weight: 848.07 g/mol
• Exact Mass: 847.37
• IUPAC Name: 2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)nc(-c7ccccc7)n6)c5)c4)n3)ccc21
• InChI: InChI=1S/C61H45N5/c1-60(2)51-28-14-12-26-47(51)49-35-45(30-32-52(49)60)59-65-57(39-19-9-6-10-20-39)64-58(66-59)44-24-16-22-41(34-44)40-21-15-23-42(33-40)54-37-55(63-56(62-54)38-17-7-5-8-18-38)43-29-31-48-46-25-11-13-27-50(46)61(3,4)53(48)36-43/h5-37H,1-4H3
• InChIKey: LTIBRQNNVPNLLX-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.07
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 154613773) is 2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)nc(-c7ccccc7)n6)c5)c4)n3)ccc21.

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

The InChIKey is LTIBRQNNVPNLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N5/c1-60(2)51-28-14-12-26-47(51)49-35-45(30-32-52(49)60)59-65-57(39-19-9-6-10-20-39)64-58(66-59)44-24-16-22-41(34-44)40-21-15-23-42(33-40)54-37-55(63-56(62-54)38-17-7-5-8-18-38)43-29-31-48-46-25-11-13-27-50(46)61(3,4)53(48)36-43/h5-37H,1-4H3.

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

2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 848.07 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 154613773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).