7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine

C59H55N — CID 89067020

About 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine

7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine (PubChem CID 89067020) has the molecular formula C59H55N and a molecular weight of 778.10 g/mol. Its IUPAC name is 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine
• PubChem CID: 89067020
• Molecular Formula: C59H55N
• Molecular Weight: 778.10 g/mol
• Exact Mass: 777.43
• IUPAC Name: 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine
• SMILES: CCC1(CC)C2=C(CCC(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4-c4ccc(C(C)(C)C)cc4)cc3)=C2)c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C59H55N/c1-6-59(7-2)55-40-43(30-38-53(55)54-39-37-50(41-56(54)59)60(48-20-13-9-14-21-48)49-22-15-10-16-23-49)27-26-42-28-31-46(32-29-42)57-51(44-18-11-8-12-19-44)24-17-25-52(57)45-33-35-47(36-34-45)58(3,4)5/h8-29,31-37,39-41H,6-7,30,38H2,1-5H3/b27-26+
• InChIKey: CSSFVGZXKGYPNT-CYYJNZCTSA-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	778.10
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine?

The IUPAC name of 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine (CID 89067020) is 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine?

The canonical SMILES for 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine is CCC1(CC)C2=C(CCC(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4-c4ccc(C(C)(C)C)cc4)cc3)=C2)c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine?

The InChIKey is CSSFVGZXKGYPNT-CYYJNZCTSA-N. The full InChI is InChI=1S/C59H55N/c1-6-59(7-2)55-40-43(30-38-53(55)54-39-37-50(41-56(54)59)60(48-20-13-9-14-21-48)49-22-15-10-16-23-49)27-26-42-28-31-46(32-29-42)57-51(44-18-11-8-12-19-44)24-17-25-52(57)45-33-35-47(36-34-45)58(3,4)5/h8-29,31-37,39-41H,6-7,30,38H2,1-5H3/b27-26+.

What are the key properties of 7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine?

7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine has a molecular weight of 778.10 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)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine is sourced from PubChem (CID 89067020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).