N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine

C66H49N — CID 135193193

About N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine (PubChem CID 135193193) has the molecular formula C66H49N and a molecular weight of 856.13 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
• PubChem CID: 135193193
• Molecular Formula: C66H49N
• Molecular Weight: 856.13 g/mol
• Exact Mass: 855.39
• IUPAC Name: N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4-c4ccccc4C5(C)c4ccccc4)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C66H49N/c1-64(2)55-34-16-13-30-51(55)52-41-40-49(43-60(52)64)67(61-39-21-38-59-63(61)54-32-15-18-36-57(54)66(59,46-25-9-5-10-26-46)47-27-11-6-12-28-47)48-29-19-22-44(42-48)50-33-20-37-58-62(50)53-31-14-17-35-56(53)65(58,3)45-23-7-4-8-24-45/h4-43H,1-3H3
• InChIKey: UWCYTEMHYBKJAX-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-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine (CID 135193193) is N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4-c4ccccc4C5(C)c4ccccc4)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine?

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

What are the key properties of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine?

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(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-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 135193193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).