10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine]

C132H80N18S6 — CID 162124534

About 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine]

10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine] (PubChem CID 162124534) has the molecular formula C132H80N18S6 and a molecular weight of 2110.62 g/mol. Its IUPAC name is 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine].

Molecular Properties

• Compound Name: 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine]
• PubChem CID: 162124534
• Molecular Formula: C132H80N18S6
• Molecular Weight: 2110.62 g/mol
• Exact Mass: 2108.51
• IUPAC Name: 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine]
• SMILES: c1ccc(-c2cc(-c3ccc(N4c5ncccc5C5(c6cccnc64)c4ccsc4-c4sccc45)cc3)nc(-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3cccc(N4c5ncccc5C5(c6cccnc64)c4ccsc4-c4sccc45)c3)nc(-c3ccc(-c4ccccn4)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(N4c5ncccc5C5(c6cccnc64)c4ccsc4-c4sccc45)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)cc1
• InChI: InChI=1S/2C46H28N6S2.C40H24N6S2/c1-2-9-29(10-3-1)39-28-40(51-43(50-39)31-18-16-30(17-19-31)38-15-4-5-22-47-38)32-11-6-12-33(27-32)52-44-36(13-7-23-48-44)46(37-14-8-24-49-45(37)52)34-20-25-53-41(34)42-35(46)21-26-54-42;1-2-8-29(9-3-1)30-13-15-32(16-14-30)39-28-40(51-43(50-39)33-19-17-31(18-20-33)38-12-4-5-23-47-38)52-44-36(10-6-24-48-44)46(37-11-7-25-49-45(37)52)34-21-26-53-41(34)42-35(46)22-27-54-42;1-2-8-25(9-3-1)33-24-34(45-37(44-33)32-12-4-5-19-41-32)26-13-15-27(16-14-26)46-38-30(10-6-20-42-38)40(31-11-7-21-43-39(31)46)28-17-22-47-35(28)36-29(40)18-23-48-36/h2*1-28H;1-24H
• InChIKey: ZHVSLOLKXGHXMQ-UHFFFAOYSA-N
• XLogP: 33.13
• TPSA: 203.07 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.62
LogP ≤ 5	33.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine]?

The IUPAC name of 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine] (CID 162124534) is 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine].

What is the SMILES notation for 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine]?

The canonical SMILES for 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine] is c1ccc(-c2cc(-c3ccc(N4c5ncccc5C5(c6cccnc64)c4ccsc4-c4sccc45)cc3)nc(-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3cccc(N4c5ncccc5C5(c6cccnc64)c4ccsc4-c4sccc45)c3)nc(-c3ccc(-c4ccccn4)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(N4c5ncccc5C5(c6cccnc64)c4ccsc4-c4sccc45)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)cc1.

What is the InChIKey of 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine]?

The InChIKey is ZHVSLOLKXGHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N6S2.C40H24N6S2/c1-2-9-29(10-3-1)39-28-40(51-43(50-39)31-18-16-30(17-19-31)38-15-4-5-22-47-38)32-11-6-12-33(27-32)52-44-36(13-7-23-48-44)46(37-14-8-24-49-45(37)52)34-20-25-53-41(34)42-35(46)21-26-54-42;1-2-8-29(9-3-1)30-13-15-32(16-14-30)39-28-40(51-43(50-39)33-19-17-31(18-20-33)38-12-4-5-23-47-38)52-44-36(10-6-24-48-44)46(37-11-7-25-49-45(37)52)34-21-26-53-41(34)42-35(46)22-27-54-42;1-2-8-25(9-3-1)33-24-34(45-37(44-33)32-12-4-5-19-41-32)26-13-15-27(16-14-26)46-38-30(10-6-20-42-38)40(31-11-7-21-43-39(31)46)28-17-22-47-35(28)36-29(40)18-23-48-36/h2*1-28H;1-24H.

What are the key properties of 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine]?

10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine] has a molecular weight of 2110.62 g/mol, XLogP of 33.13, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 10'-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[3-[6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine];10'-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,5'-pyrido[2,3-b][1,8]naphthyridine] is sourced from PubChem (CID 162124534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).