4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]

C59H37N5S2 — CID 138497375

About 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]

4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] (PubChem CID 138497375) has the molecular formula C59H37N5S2 and a molecular weight of 880.11 g/mol. Its IUPAC name is 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine].

Molecular Properties

• Compound Name: 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]
• PubChem CID: 138497375
• Molecular Formula: C59H37N5S2
• Molecular Weight: 880.11 g/mol
• Exact Mass: 879.25
• IUPAC Name: 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(N5c6ccccc6C6(c7ccccc75)c5cc(-c7ccccc7)sc5-c5sc(-c7ccccn7)cc56)c4)n3)cc2)cc1
• InChI: InChI=1S/C59H37N5S2/c1-4-17-38(18-5-1)39-30-32-42(33-31-39)57-61-56(41-21-8-3-9-22-41)62-58(63-57)43-23-16-24-44(35-43)64-50-28-12-10-25-45(50)59(46-26-11-13-29-51(46)64)47-36-52(40-19-6-2-7-20-40)65-54(47)55-48(59)37-53(66-55)49-27-14-15-34-60-49/h1-37H
• InChIKey: WAEKOESGUPOBRO-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 54.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.11
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

The IUPAC name of 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] (CID 138497375) is 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine].

What is the SMILES notation for 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

The canonical SMILES for 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(N5c6ccccc6C6(c7ccccc75)c5cc(-c7ccccc7)sc5-c5sc(-c7ccccn7)cc56)c4)n3)cc2)cc1.

What is the InChIKey of 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

The InChIKey is WAEKOESGUPOBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5S2/c1-4-17-38(18-5-1)39-30-32-42(33-31-39)57-61-56(41-21-8-3-9-22-41)62-58(63-57)43-23-16-24-44(35-43)64-50-28-12-10-25-45(50)59(46-26-11-13-29-51(46)64)47-36-52(40-19-6-2-7-20-40)65-54(47)55-48(59)37-53(66-55)49-27-14-15-34-60-49/h1-37H.

What are the key properties of 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] has a molecular weight of 880.11 g/mol, XLogP of 15.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-10'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-pyridin-2-ylspiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] is sourced from PubChem (CID 138497375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).