N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine

C59H47N — CID 89066703

About N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine

N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 89066703) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
• PubChem CID: 89066703
• Molecular Formula: C59H47N
• Molecular Weight: 770.03 g/mol
• Exact Mass: 769.37
• IUPAC Name: N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
• SMILES: C1=CCC(N(c2ccccc2)c2ccc3c(c2)C2(CCCC2)c2cc(/C=C/c4ccc(-c5ccc(-c6ccccc6)c6c(-c7ccccc7)cccc56)cc4)ccc2-3)C=C1
• InChI: InChI=1S/C59H47N/c1-5-16-44(17-6-1)51-24-15-25-55-50(36-37-52(58(51)55)45-18-7-2-8-19-45)46-31-28-42(29-32-46)26-27-43-30-34-53-54-35-33-49(41-57(54)59(56(53)40-43)38-13-14-39-59)60(47-20-9-3-10-21-47)48-22-11-4-12-23-48/h1-12,15-22,24-37,40-41,48H,13-14,23,38-39H2/b27-26+
• InChIKey: JLUAYKAYNMJPTD-CYYJNZCTSA-N
• XLogP: 15.87
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.03
LogP ≤ 5	15.87
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 N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine?

The IUPAC name of N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 89066703) is N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine.

What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine?

The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine is C1=CCC(N(c2ccccc2)c2ccc3c(c2)C2(CCCC2)c2cc(/C=C/c4ccc(-c5ccc(-c6ccccc6)c6c(-c7ccccc7)cccc56)cc4)ccc2-3)C=C1.

What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine?

The InChIKey is JLUAYKAYNMJPTD-CYYJNZCTSA-N. The full InChI is InChI=1S/C59H47N/c1-5-16-44(17-6-1)51-24-15-25-55-50(36-37-52(58(51)55)45-18-7-2-8-19-45)46-31-28-42(29-32-46)26-27-43-30-34-53-54-35-33-49(41-57(54)59(56(53)40-43)38-13-14-39-59)60(47-20-9-3-10-21-47)48-22-11-4-12-23-48/h1-12,15-22,24-37,40-41,48H,13-14,23,38-39H2/b27-26+.

What are the key properties of N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine?

N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 770.03 g/mol, XLogP of 15.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 89066703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).