10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene]

C62H42N4O — CID 123932288

About 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene]

10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene] (PubChem CID 123932288) has the molecular formula C62H42N4O and a molecular weight of 859.05 g/mol. Its IUPAC name is 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 123932288
• Molecular Formula: C62H42N4O
• Molecular Weight: 859.05 g/mol
• Exact Mass: 858.34
• IUPAC Name: 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene]
• SMILES: C=CC(=C)C1=NC(c2cccc3c2oc2c(N4c5ccc(-c6ccccc6)cc5C5(c6ccccc6-c6ccccc65)c5cc(-c6ccccc6)ccc54)cccc23)N=C(c2ccccc2)N1
• InChI: InChI=1S/C62H42N4O/c1-3-39(2)59-63-60(42-23-11-6-12-24-42)65-61(64-59)49-29-17-27-47-48-28-18-32-56(58(48)67-57(47)49)66-54-35-33-43(40-19-7-4-8-20-40)37-52(54)62(50-30-15-13-25-45(50)46-26-14-16-31-51(46)62)53-38-44(34-36-55(53)66)41-21-9-5-10-22-41/h3-38,61H,1-2H2,(H,63,64,65)
• InChIKey: OKEYUZXMJIYALL-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 53.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.05
LogP ≤ 5	15.26
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 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene] (CID 123932288) is 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene] is C=CC(=C)C1=NC(c2cccc3c2oc2c(N4c5ccc(-c6ccccc6)cc5C5(c6ccccc6-c6ccccc65)c5cc(-c6ccccc6)ccc54)cccc23)N=C(c2ccccc2)N1.

What is the InChIKey of 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene]?

The InChIKey is OKEYUZXMJIYALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4O/c1-3-39(2)59-63-60(42-23-11-6-12-24-42)65-61(64-59)49-29-17-27-47-48-28-18-32-56(58(48)67-57(47)49)66-54-35-33-43(40-19-7-4-8-20-40)37-52(54)62(50-30-15-13-25-45(50)46-26-14-16-31-51(46)62)53-38-44(34-36-55(53)66)41-21-9-5-10-22-41/h3-38,61H,1-2H2,(H,63,64,65).

What are the key properties of 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene]?

10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene] has a molecular weight of 859.05 g/mol, XLogP of 15.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(2-buta-1,3-dien-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 123932288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).