1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

C64H41N5 — CID 167177028

About 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 167177028) has the molecular formula C64H41N5 and a molecular weight of 880.07 g/mol. Its IUPAC name is 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 167177028
• Molecular Formula: C64H41N5
• Molecular Weight: 880.07 g/mol
• Exact Mass: 879.34
• IUPAC Name: 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C64H41N5/c1-3-19-42(20-4-1)61-65-62(43-37-39-47(40-38-43)68-56-33-13-8-26-50(56)51-27-9-14-34-57(51)68)67-63(66-61)45-22-17-21-44(41-45)48-28-18-29-52-49-25-7-10-30-53(49)64(60(48)52)54-31-11-15-35-58(54)69(46-23-5-2-6-24-46)59-36-16-12-32-55(59)64/h1-41H
• InChIKey: LAGPVHXUULZHDO-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.07
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 167177028) is 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)n2)cc1.

What is the InChIKey of 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The InChIKey is LAGPVHXUULZHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5/c1-3-19-42(20-4-1)61-65-62(43-37-39-47(40-38-43)68-56-33-13-8-26-50(56)51-27-9-14-34-57(51)68)67-63(66-61)45-22-17-21-44(41-45)48-28-18-29-52-49-25-7-10-30-53(49)64(60(48)52)54-31-11-15-35-58(54)69(46-23-5-2-6-24-46)59-36-16-12-32-55(59)64/h1-41H.

What are the key properties of 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 880.07 g/mol, XLogP of 15.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 167177028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).