2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium

C174H138F6N26O36Ru4S3 — CID 157439661

About 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium

2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium (PubChem CID 157439661) has the molecular formula C174H138F6N26O36Ru4S3 and a molecular weight of 3783.63 g/mol. Its IUPAC name is 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium.

Molecular Properties

• Compound Name: 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium
• PubChem CID: 157439661
• Molecular Formula: C174H138F6N26O36Ru4S3
• Molecular Weight: 3783.63 g/mol
• Exact Mass: 3784.50
• IUPAC Name: 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium
• SMILES: CCCCCCc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccccc3O)n2)s1.CCCCCCc1ccsc1-c1nc(-c2cc(C(F)(F)F)ccc2O)nc(-c2cc(C(F)(F)F)ccc2O)n1.CCCCCCc1ccsc1-c1nc(-c2cc([N+](=O)[O-])ccc2O)nc(-c2cc([N+](=O)[O-])ccc2O)n1.CCc1cc(CC)cc(-c2nc(-c3ccccc3O)nc(-c3ccccc3O)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.[Ru].[Ru].[Ru].[Ru]
• InChI: InChI=1S/C27H23F6N3O2S.C25H23N5O6S.C25H25N3O2S.C25H23N3O2.4C18H11N3O6.4Ru/c1-2-3-4-5-6-15-11-12-39-22(15)25-35-23(18-13-16(26(28,29)30)7-9-20(18)37)34-24(36-25)19-14-17(27(31,32)33)8-10-21(19)38;1-2-3-4-5-6-15-11-12-37-22(15)25-27-23(18-13-16(29(33)34)7-9-20(18)31)26-24(28-25)19-14-17(30(35)36)8-10-21(19)32;1-2-3-4-5-10-17-15-16-22(31-17)25-27-23(18-11-6-8-13-20(18)29)26-24(28-25)19-12-7-9-14-21(19)30;1-3-16-13-17(4-2)15-18(14-16)23-26-24(19-9-5-7-11-21(19)29)28-25(27-23)20-10-6-8-12-22(20)30;4*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;;;;/h7-14,37-38H,2-6H2,1H3;7-14,31-32H,2-6H2,1H3;6-9,11-16,29-30H,2-5,10H2,1H3;5-15,29-30H,3-4H2,1-2H3;4*1-11H
• InChIKey: ATHVSKFWZARQCB-UHFFFAOYSA-N
• XLogP: 33.90
• TPSA: 873.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 63
• Rotatable Bonds: 63
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3783.63
LogP ≤ 5	33.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium?

The IUPAC name of 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium (CID 157439661) is 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium.

What is the SMILES notation for 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium?

The canonical SMILES for 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium is CCCCCCc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccccc3O)n2)s1.CCCCCCc1ccsc1-c1nc(-c2cc(C(F)(F)F)ccc2O)nc(-c2cc(C(F)(F)F)ccc2O)n1.CCCCCCc1ccsc1-c1nc(-c2cc([N+](=O)[O-])ccc2O)nc(-c2cc([N+](=O)[O-])ccc2O)n1.CCc1cc(CC)cc(-c2nc(-c3ccccc3O)nc(-c3ccccc3O)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.[Ru].[Ru].[Ru].[Ru].

What is the InChIKey of 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium?

The InChIKey is ATHVSKFWZARQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F6N3O2S.C25H23N5O6S.C25H25N3O2S.C25H23N3O2.4C18H11N3O6.4Ru/c1-2-3-4-5-6-15-11-12-39-22(15)25-35-23(18-13-16(26(28,29)30)7-9-20(18)37)34-24(36-25)19-14-17(27(31,32)33)8-10-21(19)38;1-2-3-4-5-6-15-11-12-37-22(15)25-27-23(18-13-16(29(33)34)7-9-20(18)31)26-24(28-25)19-14-17(30(35)36)8-10-21(19)32;1-2-3-4-5-10-17-15-16-22(31-17)25-27-23(18-11-6-8-13-20(18)29)26-24(28-25)19-12-7-9-14-21(19)30;1-3-16-13-17(4-2)15-18(14-16)23-26-24(19-9-5-7-11-21(19)29)28-25(27-23)20-10-6-8-12-22(20)30;4*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;;;;/h7-14,37-38H,2-6H2,1H3;7-14,31-32H,2-6H2,1H3;6-9,11-16,29-30H,2-5,10H2,1H3;5-15,29-30H,3-4H2,1-2H3;4*1-11H;;;;.

What are the key properties of 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium?

2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium has a molecular weight of 3783.63 g/mol, XLogP of 33.90, 63 rotatable bonds, 8 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium is sourced from PubChem (CID 157439661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).