N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

C66H57NO — CID 155606323

About N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 155606323) has the molecular formula C66H57NO and a molecular weight of 880.19 g/mol. Its IUPAC name is N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 155606323
• Molecular Formula: C66H57NO
• Molecular Weight: 880.19 g/mol
• Exact Mass: 879.44
• IUPAC Name: N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CCC(CC(C)c1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc2)cc1)c1ccc2c(c1)CC2
• InChI: InChI=1S/C66H57NO/c1-5-45(48-26-24-47-25-27-49(47)41-48)40-44(2)46-28-34-55(35-29-46)68-56-36-30-51(31-37-56)66(50-16-8-6-9-17-50)62-23-15-13-21-58(62)60-39-33-54(43-64(60)66)67(52-18-10-7-11-19-52)53-32-38-59-57-20-12-14-22-61(57)65(3,4)63(59)42-53/h6-24,26,28-39,41-45H,5,25,27,40H2,1-4H3
• InChIKey: JJYCBCGPMDAQIJ-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.19
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 155606323) is N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

What is the SMILES notation for N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The canonical SMILES for N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is CCC(CC(C)c1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc2)cc1)c1ccc2c(c1)CC2.

What is the InChIKey of N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The InChIKey is JJYCBCGPMDAQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H57NO/c1-5-45(48-26-24-47-25-27-49(47)41-48)40-44(2)46-28-34-55(35-29-46)68-56-36-30-51(31-37-56)66(50-16-8-6-9-17-50)62-23-15-13-21-58(62)60-39-33-54(43-64(60)66)67(52-18-10-7-11-19-52)53-32-38-59-57-20-12-14-22-61(57)65(3,4)63(59)42-53/h6-24,26,28-39,41-45H,5,25,27,40H2,1-4H3.

What are the key properties of N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 880.19 g/mol, XLogP of 17.40, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 155606323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).