2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

C63H50N6 — CID 130392370

About 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 130392370) has the molecular formula C63H50N6 and a molecular weight of 891.14 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 130392370
• Molecular Formula: C63H50N6
• Molecular Weight: 891.14 g/mol
• Exact Mass: 890.41
• IUPAC Name: 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: C=C/C=C\C=C(/C)c1nc(-c2ccc(C(C)(c3ccccc3)c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(C(=C)/C=C\C=C)c5)n4)cc3)cc2)nc(-c2cccc(-c3ccccc3)c2)n1
• InChI: InChI=1S/C63H50N6/c1-6-8-13-23-45(4)57-64-59(68-61(65-57)53-31-21-29-51(43-53)46-24-14-10-15-25-46)48-34-38-55(39-35-48)63(5,54-32-18-12-19-33-54)56-40-36-49(37-41-56)60-66-58(47-26-16-11-17-27-47)67-62(69-60)52-30-20-28-50(42-52)44(3)22-9-7-2/h6-43H,1-3H2,4-5H3/b13-8-,22-9-,45-23+
• InChIKey: TVKAFXYUNMKDFK-XKOWXMQTSA-N
• XLogP: 15.31
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.14
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 130392370) is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is C=C/C=C\C=C(/C)c1nc(-c2ccc(C(C)(c3ccccc3)c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(C(=C)/C=C\C=C)c5)n4)cc3)cc2)nc(-c2cccc(-c3ccccc3)c2)n1.

What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is TVKAFXYUNMKDFK-XKOWXMQTSA-N. The full InChI is InChI=1S/C63H50N6/c1-6-8-13-23-45(4)57-64-59(68-61(65-57)53-31-21-29-51(43-53)46-24-14-10-15-25-46)48-34-38-55(39-35-48)63(5,54-32-18-12-19-33-54)56-40-36-49(37-41-56)60-66-58(47-26-16-11-17-27-47)67-62(69-60)52-30-20-28-50(42-52)44(3)22-9-7-2/h6-43H,1-3H2,4-5H3/b13-8-,22-9-,45-23+.

What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 891.14 g/mol, XLogP of 15.31, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130392370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).