N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine

C60H44N2 — CID 143268704

About N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 143268704) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 143268704
• Molecular Formula: C60H44N2
• Molecular Weight: 793.03 g/mol
• Exact Mass: 792.35
• IUPAC Name: N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: C=C(/C=C\C=C/C)c1ccc2c(c1)C1(c3cc(-c4ccccc4)ccc3-2)c2ccccc2N(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2ccccc21
• InChI: InChI=1S/C60H44N2/c1-3-4-7-19-42(2)45-32-38-51-52-39-33-46(43-20-8-5-9-21-43)41-56(52)60(55(51)40-45)53-27-14-16-29-58(53)62(59-30-17-15-28-54(59)60)49-36-34-48(35-37-49)61(47-24-10-6-11-25-47)57-31-18-23-44-22-12-13-26-50(44)57/h3-41H,2H2,1H3/b4-3-,19-7-
• InChIKey: FRCLJLSLYHSEBR-PAAWEPGASA-N
• XLogP: 16.27
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.03
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 143268704) is N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine is C=C(/C=C\C=C/C)c1ccc2c(c1)C1(c3cc(-c4ccccc4)ccc3-2)c2ccccc2N(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2ccccc21.

What is the InChIKey of N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is FRCLJLSLYHSEBR-PAAWEPGASA-N. The full InChI is InChI=1S/C60H44N2/c1-3-4-7-19-42(2)45-32-38-51-52-39-33-46(43-20-8-5-9-21-43)41-56(52)60(55(51)40-45)53-27-14-16-29-58(53)62(59-30-17-15-28-54(59)60)49-36-34-48(35-37-49)61(47-24-10-6-11-25-47)57-31-18-23-44-22-12-13-26-50(44)57/h3-41H,2H2,1H3/b4-3-,19-7-.

What are the key properties of N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine?

N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 793.03 g/mol, XLogP of 16.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7'-phenylspiro[acridine-9,9'-fluorene]-10-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 143268704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).