N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine

C69H49N3 — CID 167353059

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (PubChem CID 167353059) has the molecular formula C69H49N3 and a molecular weight of 920.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
• PubChem CID: 167353059
• Molecular Formula: C69H49N3
• Molecular Weight: 920.17 g/mol
• Exact Mass: 919.39
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3c(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c4ccccc34)cc21
• InChI: InChI=1S/C69H49N3/c1-68(2)59-38-22-20-34-53(59)55-42-40-51(44-61(55)68)71(52-41-43-56-54-35-21-23-39-60(54)69(62(56)45-52,49-30-14-6-15-31-49)50-32-16-7-17-33-50)67-58-37-19-18-36-57(58)66-63(46-24-8-3-9-25-46)64(47-26-10-4-11-27-47)70-72(66)65(67)48-28-12-5-13-29-48/h3-45H,1-2H3
• InChIKey: LYUIKYIDRJJSPF-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 20.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.17
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (CID 167353059) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3c(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c4ccccc34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?

The InChIKey is LYUIKYIDRJJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N3/c1-68(2)59-38-22-20-34-53(59)55-42-40-51(44-61(55)68)71(52-41-43-56-54-35-21-23-39-60(54)69(62(56)45-52,49-30-14-6-15-31-49)50-32-16-7-17-33-50)67-58-37-19-18-36-57(58)66-63(46-24-8-3-9-25-46)64(47-26-10-4-11-27-47)70-72(66)65(67)48-28-12-5-13-29-48/h3-45H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine has a molecular weight of 920.17 g/mol, XLogP of 17.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is sourced from PubChem (CID 167353059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).