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

C108H73N9S4 — CID 159616807

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

2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] (PubChem CID 159616807) has the molecular formula C108H73N9S4 and a molecular weight of 1625.10 g/mol. Its IUPAC name is 2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine].

Molecular Properties

• Compound Name: 2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]
• PubChem CID: 159616807
• Molecular Formula: C108H73N9S4
• Molecular Weight: 1625.10 g/mol
• Exact Mass: 1623.49
• IUPAC Name: 2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]
• SMILES: C=Cc1cc2c(cc1C=C)C1(c3ccccc3N2c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)c2)c2ccsc2-c2sccc21.Cc1ccc(-c2cc3c(s2)-c2sccc2C32c3ccccc3N(c3cc(C)c(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3C)c3ccccc32)cc1
• InChI: InChI=1S/C63H44N4S2.C45H29N5S2/c1-39-22-24-46(25-23-39)57-38-53-59(69-57)58-52(34-35-68-58)63(53)50-18-10-12-20-54(50)67(55-21-13-11-19-51(55)63)56-37-40(2)49(36-41(56)3)62-65-60(47-30-26-44(27-31-47)42-14-6-4-7-15-42)64-61(66-62)48-32-28-45(29-33-48)43-16-8-5-9-17-43;1-3-28-26-36-39(27-29(28)4-2)50(38-19-9-8-17-33(38)45(36)34-20-23-51-40(34)41-35(45)21-24-52-41)32-16-12-15-31(25-32)43-47-42(30-13-6-5-7-14-30)48-44(49-43)37-18-10-11-22-46-37/h4-38H,1-3H3;3-27H,1-2H2
• InChIKey: MNJPJZJMSKFKCG-UHFFFAOYSA-N
• XLogP: 28.89
• TPSA: 96.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.10
LogP ≤ 5	28.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] (CID 159616807) is 2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[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 2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

The canonical SMILES for 2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] is C=Cc1cc2c(cc1C=C)C1(c3ccccc3N2c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)c2)c2ccsc2-c2sccc21.Cc1ccc(-c2cc3c(s2)-c2sccc2C32c3ccccc3N(c3cc(C)c(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3C)c3ccccc32)cc1.

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

The InChIKey is MNJPJZJMSKFKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4S2.C45H29N5S2/c1-39-22-24-46(25-23-39)57-38-53-59(69-57)58-52(34-35-68-58)63(53)50-18-10-12-20-54(50)67(55-21-13-11-19-51(55)63)56-37-40(2)49(36-41(56)3)62-65-60(47-30-26-44(27-31-47)42-14-6-4-7-15-42)64-61(66-62)48-32-28-45(29-33-48)43-16-8-5-9-17-43;1-3-28-26-36-39(27-29(28)4-2)50(38-19-9-8-17-33(38)45(36)34-20-23-51-40(34)41-35(45)21-24-52-41)32-16-12-15-31(25-32)43-47-42(30-13-6-5-7-14-30)48-44(49-43)37-18-10-11-22-46-37/h4-38H,1-3H3;3-27H,1-2H2.

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

2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] has a molecular weight of 1625.10 g/mol, XLogP of 28.89, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2',3'-bis(ethenyl)-10'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]-4-(4-methylphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] is sourced from PubChem (CID 159616807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).