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

C66H49N — CID 171453229

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

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine (PubChem CID 171453229) has the molecular formula C66H49N and a molecular weight of 856.13 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
• PubChem CID: 171453229
• Molecular Formula: C66H49N
• Molecular Weight: 856.13 g/mol
• Exact Mass: 855.39
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)c3ccccc3)cc21
• InChI: InChI=1S/C66H49N/c1-64(2)56-33-17-13-28-49(56)51-40-38-47(42-60(51)64)67(48-39-41-52-50-29-14-19-35-58(50)66(61(52)43-48,45-24-9-5-10-25-45)46-26-11-6-12-27-46)62-37-20-16-30-53(62)54-32-21-36-59-63(54)55-31-15-18-34-57(55)65(59,3)44-22-7-4-8-23-44/h4-43H,1-3H3
• InChIKey: ZESHZFOYQJKJFZ-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-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine (CID 171453229) is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine.

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

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)c3ccccc3)cc21.

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

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

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

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-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-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171453229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).