N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

C59H53NO — CID 155606269

About N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 155606269) has the molecular formula C59H53NO and a molecular weight of 792.08 g/mol. Its IUPAC name is N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 155606269
• Molecular Formula: C59H53NO
• Molecular Weight: 792.08 g/mol
• Exact Mass: 791.41
• IUPAC Name: N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CCC(C)c1ccc(Oc2ccc(C3(c4ccc(C(C)C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc2)cc1
• InChI: InChI=1S/C59H53NO/c1-7-40(4)42-23-31-48(32-24-42)61-49-33-27-44(28-34-49)59(43-25-21-41(22-26-43)39(2)3)55-20-14-12-18-51(55)53-36-30-47(38-57(53)59)60(45-15-9-8-10-16-45)46-29-35-52-50-17-11-13-19-54(50)58(5,6)56(52)37-46/h8-40H,7H2,1-6H3
• InChIKey: CLAQMQPSNIMNBL-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.08
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 155606269) is N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

What is the SMILES notation for N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The canonical SMILES for N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is CCC(C)c1ccc(Oc2ccc(C3(c4ccc(C(C)C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc2)cc1.

What is the InChIKey of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The InChIKey is CLAQMQPSNIMNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H53NO/c1-7-40(4)42-23-31-48(32-24-42)61-49-33-27-44(28-34-49)59(43-25-21-41(22-26-43)39(2)3)55-20-14-12-18-51(55)53-36-30-47(38-57(53)59)60(45-15-9-8-10-16-45)46-29-35-52-50-17-11-13-19-54(50)58(5,6)56(52)37-46/h8-40H,7H2,1-6H3.

What are the key properties of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?

N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 792.08 g/mol, XLogP of 16.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 155606269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).