11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine]

C100H60N12S4 — CID 159193866

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

11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine] (PubChem CID 159193866) has the molecular formula C100H60N12S4 and a molecular weight of 1557.93 g/mol. Its IUPAC name is 11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine].

Molecular Properties

• Compound Name: 11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine]
• PubChem CID: 159193866
• Molecular Formula: C100H60N12S4
• Molecular Weight: 1557.93 g/mol
• Exact Mass: 1556.39
• IUPAC Name: 11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)cc4)nc(-c4ccc(N5c6ccccc6C6(c7cc8cccnc8cc75)c5ccsc5-c5sccc56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(N3c4ccccc4C4(c5cc6cccnc6cc53)c3ccsc3-c3sccc34)n2)cc1
• InChI: InChI=1S/C56H34N6S2.C44H26N6S2/c1-2-9-35(10-3-1)36-15-19-38(20-16-36)53-59-54(39-21-17-37(18-22-39)47-13-6-7-29-57-47)61-55(60-53)40-23-25-42(26-24-40)62-49-14-5-4-12-43(49)56(44-27-31-63-51(44)52-45(56)28-32-64-52)46-33-41-11-8-30-58-48(41)34-50(46)62;1-2-9-28(10-3-1)41-47-42(29-17-15-27(16-18-29)35-13-6-7-21-45-35)49-43(48-41)50-37-14-5-4-12-31(37)44(32-19-23-51-39(32)40-33(44)20-24-52-40)34-25-30-11-8-22-46-36(30)26-38(34)50/h1-34H;1-26H
• InChIKey: KOKNNJLMRPFCFH-UHFFFAOYSA-N
• XLogP: 25.50
• TPSA: 135.38 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1557.93
LogP ≤ 5	25.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine] (CID 159193866) is 11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine].

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

The canonical SMILES for 11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine] is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)cc4)nc(-c4ccc(N5c6ccccc6C6(c7cc8cccnc8cc75)c5ccsc5-c5sccc56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(N3c4ccccc4C4(c5cc6cccnc6cc53)c3ccsc3-c3sccc34)n2)cc1.

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

The InChIKey is KOKNNJLMRPFCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6S2.C44H26N6S2/c1-2-9-35(10-3-1)36-15-19-38(20-16-36)53-59-54(39-21-17-37(18-22-39)47-13-6-7-29-57-47)61-55(60-53)40-23-25-42(26-24-40)62-49-14-5-4-12-43(49)56(44-27-31-63-51(44)52-45(56)28-32-64-52)46-33-41-11-8-30-58-48(41)34-50(46)62;1-2-9-28(10-3-1)41-47-42(29-17-15-27(16-18-29)35-13-6-7-21-45-35)49-43(48-41)50-37-14-5-4-12-31(37)44(32-19-23-51-39(32)40-33(44)20-24-52-40)34-25-30-11-8-22-46-36(30)26-38(34)50/h1-34H;1-26H.

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

11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine] has a molecular weight of 1557.93 g/mol, XLogP of 25.50, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11'-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine];11'-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,6'-pyrido[3,2-b]acridine] is sourced from PubChem (CID 159193866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).