2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C70H55N3 — CID 126699625

About 2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 126699625) has the molecular formula C70H55N3 and a molecular weight of 938.23 g/mol. Its IUPAC name is 2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
• PubChem CID: 126699625
• Molecular Formula: C70H55N3
• Molecular Weight: 938.23 g/mol
• Exact Mass: 937.44
• IUPAC Name: 2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
• SMILES: C=C(/C=C\C=C/C)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(C2NC(c3ccccc3)=NC(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)N2)c1
• InChI: InChI=1S/C70H55N3/c1-3-4-11-24-49(2)56-37-62(63-41-57(50-25-12-5-13-26-50)39-58(42-63)51-27-14-6-15-28-51)47-66(38-56)69-71-68(55-35-22-10-23-36-55)72-70(73-69)67-46-61(54-33-20-9-21-34-54)45-65(48-67)64-43-59(52-29-16-7-17-30-52)40-60(44-64)53-31-18-8-19-32-53/h3-48,69-70,73H,2H2,1H3,(H,71,72)/b4-3-,24-11-
• InChIKey: FZNUFYAHBFZCJA-FGVSTFSOSA-N
• XLogP: 17.84
• TPSA: 36.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.23
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 126699625) is 2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

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

The canonical SMILES for 2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is C=C(/C=C\C=C/C)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(C2NC(c3ccccc3)=NC(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)N2)c1.

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

The InChIKey is FZNUFYAHBFZCJA-FGVSTFSOSA-N. The full InChI is InChI=1S/C70H55N3/c1-3-4-11-24-49(2)56-37-62(63-41-57(50-25-12-5-13-26-50)39-58(42-63)51-27-14-6-15-28-51)47-66(38-56)69-71-68(55-35-22-10-23-36-55)72-70(73-69)67-46-61(54-33-20-9-21-34-54)45-65(48-67)64-43-59(52-29-16-7-17-30-52)40-60(44-64)53-31-18-8-19-32-53/h3-48,69-70,73H,2H2,1H3,(H,71,72)/b4-3-,24-11-.

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

2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 938.23 g/mol, XLogP of 17.84, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 126699625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).