6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine

C63H59N — CID 176605499

About 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine (PubChem CID 176605499) has the molecular formula C63H59N and a molecular weight of 830.17 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine.

Molecular Properties

• Compound Name: 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
• PubChem CID: 176605499
• Molecular Formula: C63H59N
• Molecular Weight: 830.17 g/mol
• Exact Mass: 829.46
• IUPAC Name: 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
• SMILES: CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(C)c1c-2cccc1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
• InChI: InChI=1S/C63H59N/c1-59(2,3)42-37-50-49-29-21-33-56(58(49)62(9,10)57(50)55(38-42)60(4,5)6)64(44-34-35-48-45-26-14-17-30-51(45)61(7,8)54(48)39-44)43-25-20-24-41(36-43)63(40-22-12-11-13-23-40)52-31-18-15-27-46(52)47-28-16-19-32-53(47)63/h11-39H,1-10H3
• InChIKey: YDUMZKTXIMEESX-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.17
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine?

The IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine (CID 176605499) is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine.

What is the SMILES notation for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine?

The canonical SMILES for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(C)c1c-2cccc1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.

What is the InChIKey of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine?

The InChIKey is YDUMZKTXIMEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H59N/c1-59(2,3)42-37-50-49-29-21-33-56(58(49)62(9,10)57(50)55(38-42)60(4,5)6)64(44-34-35-48-45-26-14-17-30-51(45)61(7,8)54(48)39-44)43-25-20-24-41(36-43)63(40-22-12-11-13-23-40)52-31-18-15-27-46(52)47-28-16-19-32-53(47)63/h11-39H,1-10H3.

What are the key properties of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine?

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine has a molecular weight of 830.17 g/mol, XLogP of 16.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine is sourced from PubChem (CID 176605499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).