N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine

C70H59NO — CID 155606293

About N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine

N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 155606293) has the molecular formula C70H59NO and a molecular weight of 930.25 g/mol. Its IUPAC name is N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine
• PubChem CID: 155606293
• Molecular Formula: C70H59NO
• Molecular Weight: 930.25 g/mol
• Exact Mass: 929.46
• IUPAC Name: N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine
• SMILES: CCC(C)c1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc43)cc2)cc1
• InChI: InChI=1S/C70H59NO/c1-6-48(2)49-30-40-58(41-31-49)72-59-42-36-54(37-43-59)70(53-34-32-50(33-35-53)68(3,4)5)65-29-19-17-27-61(65)63-45-39-57(47-67(63)70)71(55-24-14-9-15-25-55)56-38-44-62-60-26-16-18-28-64(60)69(66(62)46-56,51-20-10-7-11-21-51)52-22-12-8-13-23-52/h7-48H,6H2,1-5H3
• InChIKey: DKCZLUYOTKUIAD-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.25
LogP ≤ 5	18.49
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-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine?

The IUPAC name of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine (CID 155606293) is N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine.

What is the SMILES notation for N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine?

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

What is the InChIKey of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine?

The InChIKey is DKCZLUYOTKUIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H59NO/c1-6-48(2)49-30-40-58(41-31-49)72-59-42-36-54(37-43-59)70(53-34-32-50(33-35-53)68(3,4)5)65-29-19-17-27-61(65)63-45-39-57(47-67(63)70)71(55-24-14-9-15-25-55)56-38-44-62-60-26-16-18-28-64(60)69(66(62)46-56,51-20-10-7-11-21-51)52-22-12-8-13-23-52/h7-48H,6H2,1-5H3.

What are the key properties of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine?

N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 930.25 g/mol, XLogP of 18.49, 11 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-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 155606293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).