N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine

C66H49N — CID 171453410

About N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine (PubChem CID 171453410) has the molecular formula C66H49N and a molecular weight of 856.13 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
• PubChem CID: 171453410
• Molecular Formula: C66H49N
• Molecular Weight: 856.13 g/mol
• Exact Mass: 855.39
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4-c4ccccc4C5(C)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21
• InChI: InChI=1S/C66H49N/c1-64(2)55-31-16-14-28-53(55)63-58(64)34-20-36-61(63)67(49-41-42-52-51-27-13-18-33-57(51)66(60(52)43-49,46-23-9-5-10-24-46)47-25-11-6-12-26-47)48-39-37-44(38-40-48)50-30-19-35-59-62(50)54-29-15-17-32-56(54)65(59,3)45-21-7-4-8-22-45/h4-43H,1-3H3
• InChIKey: MPYICPOXSRACNC-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.13
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine (CID 171453410) is N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4-c4ccccc4C5(C)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine?

The InChIKey is MPYICPOXSRACNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N/c1-64(2)55-31-16-14-28-53(55)63-58(64)34-20-36-61(63)67(49-41-42-52-51-27-13-18-33-57(51)66(60(52)43-49,46-23-9-5-10-24-46)47-25-11-6-12-26-47)48-39-37-44(38-40-48)50-30-19-35-59-62(50)54-29-15-17-32-56(54)65(59,3)45-21-7-4-8-22-45/h4-43H,1-3H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine?

N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine has a molecular weight of 856.13 g/mol, XLogP of 16.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 171453410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).