7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine

C58H51N — CID 89067123

About 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine

7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine (PubChem CID 89067123) has the molecular formula C58H51N and a molecular weight of 762.05 g/mol. Its IUPAC name is 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
• PubChem CID: 89067123
• Molecular Formula: C58H51N
• Molecular Weight: 762.05 g/mol
• Exact Mass: 761.40
• IUPAC Name: 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
• SMILES: CCC1(CC)c2cc(/C=C/c3cccc4c3C3=C(C=CCC3)C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3cccc(C)c3)c3cccc(C)c3)cc21
• InChI: InChI=1S/C58H51N/c1-5-57(6-2)54-38-42(31-34-49(54)50-35-33-48(39-55(50)57)59(46-25-15-18-40(3)36-46)47-26-16-19-41(4)37-47)30-32-43-20-17-29-53-56(43)51-27-13-14-28-52(51)58(53,44-21-9-7-10-22-44)45-23-11-8-12-24-45/h7-12,14-26,28-39H,5-6,13,27H2,1-4H3/b32-30+
• InChIKey: NVFAIVSQOOKTAN-NHQGMKOOSA-N
• XLogP: 15.48
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.05
LogP ≤ 5	15.48
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-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?

The IUPAC name of 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine (CID 89067123) is 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?

The canonical SMILES for 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3cccc4c3C3=C(C=CCC3)C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3cccc(C)c3)c3cccc(C)c3)cc21.

What is the InChIKey of 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?

The InChIKey is NVFAIVSQOOKTAN-NHQGMKOOSA-N. The full InChI is InChI=1S/C58H51N/c1-5-57(6-2)54-38-42(31-34-49(54)50-35-33-48(39-55(50)57)59(46-25-15-18-40(3)36-46)47-26-16-19-41(4)37-47)30-32-43-20-17-29-53-56(43)51-27-13-14-28-52(51)58(53,44-21-9-7-10-22-44)45-23-11-8-12-24-45/h7-12,14-26,28-39H,5-6,13,27H2,1-4H3/b32-30+.

What are the key properties of 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?

7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine has a molecular weight of 762.05 g/mol, XLogP of 15.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 89067123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).