2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine

C69H51N7 — CID 130181301

About 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine (PubChem CID 130181301) has the molecular formula C69H51N7 and a molecular weight of 978.22 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine.

Molecular Properties

• Compound Name: 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine
• PubChem CID: 130181301
• Molecular Formula: C69H51N7
• Molecular Weight: 978.22 g/mol
• Exact Mass: 977.42
• IUPAC Name: 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine
• SMILES: C=C/C=C\C(=C)c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc3N4c3ccc(-c4ccccc4)cc3)c2)n1
• InChI: InChI=1S/C69H51N7/c1-5-6-21-46(2)63-70-64(49-24-13-8-14-25-49)73-67(71-63)56-32-19-30-52(42-56)54-36-40-61-59(44-54)69(3,4)60-45-55(37-41-62(60)76(61)58-38-34-48(35-39-58)47-22-11-7-12-23-47)53-31-20-33-57(43-53)68-74-65(50-26-15-9-16-27-50)72-66(75-68)51-28-17-10-18-29-51/h5-45H,1-2H2,3-4H3/b21-6-
• InChIKey: JHZNYSIVYYRERD-MPUCSWFWSA-N
• XLogP: 17.26
• TPSA: 80.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	978.22
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine?

The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine (CID 130181301) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine.

What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine?

The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine is C=C/C=C\C(=C)c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc3N4c3ccc(-c4ccccc4)cc3)c2)n1.

What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine?

The InChIKey is JHZNYSIVYYRERD-MPUCSWFWSA-N. The full InChI is InChI=1S/C69H51N7/c1-5-6-21-46(2)63-70-64(49-24-13-8-14-25-49)73-67(71-63)56-32-19-30-52(42-56)54-36-40-61-59(44-54)69(3,4)60-45-55(37-41-62(60)76(61)58-38-34-48(35-39-58)47-22-11-7-12-23-47)53-31-20-33-57(43-53)68-74-65(50-26-15-9-16-27-50)72-66(75-68)51-28-17-10-18-29-51/h5-45H,1-2H2,3-4H3/b21-6-.

What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine?

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine has a molecular weight of 978.22 g/mol, XLogP of 17.26, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 130181301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).