7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine

C59H53N — CID 89067107

About 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine

7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine (PubChem CID 89067107) has the molecular formula C59H53N and a molecular weight of 776.08 g/mol. Its IUPAC name is 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
• PubChem CID: 89067107
• Molecular Formula: C59H53N
• Molecular Weight: 776.08 g/mol
• Exact Mass: 775.42
• IUPAC Name: 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
• SMILES: CCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccc(C(C)(C)C)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C59H53N/c1-6-59(7-2)56-39-43(27-36-53(56)54-38-35-51(41-57(54)59)60(49-19-13-9-14-20-49)50-21-15-10-16-22-50)24-23-42-25-28-45(29-26-42)52-37-32-47(44-17-11-8-12-18-44)40-55(52)46-30-33-48(34-31-46)58(3,4)5/h8-41H,6-7H2,1-5H3/b24-23+
• InChIKey: HKOZXWVSUYWMGM-WCWDXBQESA-N
• XLogP: 16.71
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.08
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?

The IUPAC name of 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine (CID 89067107) is 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccc(C(C)(C)C)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?

The InChIKey is HKOZXWVSUYWMGM-WCWDXBQESA-N. The full InChI is InChI=1S/C59H53N/c1-6-59(7-2)56-39-43(27-36-53(56)54-38-35-51(41-57(54)59)60(49-19-13-9-14-20-49)50-21-15-10-16-22-50)24-23-42-25-28-45(29-26-42)52-37-32-47(44-17-11-8-12-18-44)40-55(52)46-30-33-48(34-31-46)58(3,4)5/h8-41H,6-7H2,1-5H3/b24-23+.

What are the key properties of 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?

7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 776.08 g/mol, XLogP of 16.71, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89067107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).