(2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine

C55H46N4O — CID 153486799

About (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine

(2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine (PubChem CID 153486799) has the molecular formula C55H46N4O and a molecular weight of 779.00 g/mol. Its IUPAC name is (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine.

Molecular Properties

• Compound Name: (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine
• PubChem CID: 153486799
• Molecular Formula: C55H46N4O
• Molecular Weight: 779.00 g/mol
• Exact Mass: 778.37
• IUPAC Name: (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine
• SMILES: C=C/C=C\C(=C)c1nc(/C(C=C)=C/C=C)nc(-c2ccc3c(c2)C2(c4cc(-c5ccc(CC(/C=C\C)=C(N)\C=C/C)cc5)ccc4O3)c3ccccc3-c3ccccc32)n1
• InChI: InChI=1S/C55H46N4O/c1-7-12-20-36(6)52-57-53(38(11-5)17-8-2)59-54(58-52)42-30-32-51-48(35-42)55(45-23-15-13-21-43(45)44-22-14-16-24-46(44)55)47-34-40(29-31-50(47)60-51)39-27-25-37(26-28-39)33-41(18-9-3)49(56)19-10-4/h7-32,34-35H,1-2,5-6,33,56H2,3-4H3/b18-9-,19-10-,20-12-,38-17+,49-41+
• InChIKey: CLVBBVIJVPEYIS-QTQORVGUSA-N
• XLogP: 13.09
• TPSA: 73.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.00
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine?

The IUPAC name of (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine (CID 153486799) is (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine.

What is the SMILES notation for (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine?

The canonical SMILES for (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine is C=C/C=C\C(=C)c1nc(/C(C=C)=C/C=C)nc(-c2ccc3c(c2)C2(c4cc(-c5ccc(CC(/C=C\C)=C(N)\C=C/C)cc5)ccc4O3)c3ccccc3-c3ccccc32)n1.

What is the InChIKey of (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine?

The InChIKey is CLVBBVIJVPEYIS-QTQORVGUSA-N. The full InChI is InChI=1S/C55H46N4O/c1-7-12-20-36(6)52-57-53(38(11-5)17-8-2)59-54(58-52)42-30-32-51-48(35-42)55(45-23-15-13-21-43(45)44-22-14-16-24-46(44)55)47-34-40(29-31-50(47)60-51)39-27-25-37(26-28-39)33-41(18-9-3)49(56)19-10-4/h7-32,34-35H,1-2,5-6,33,56H2,3-4H3/b18-9-,19-10-,20-12-,38-17+,49-41+.

What are the key properties of (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine?

(2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine has a molecular weight of 779.00 g/mol, XLogP of 13.09, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine is sourced from PubChem (CID 153486799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).