sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol

C89H67N14NaO17S2 — CID 159941509

IUPACsodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(=O)O)cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(S(=O)(=O)[O-])cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(S(N)(=O)=O)cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)n2)c(O)c1.[Na+]
InChIInChI=1S/C23H17N3O4.C22H18N4O4S.C22H16N4O4.C22H17N3O5S.Na/c1-30-17-11-12-18(19(27)13-17)22-25-20(14-5-3-2-4-6-14)24-21(26-22)15-7-9-16(10-8-15)23(28)29;1-30-16-9-12-18(19(27)13-16)22-25-20(14-5-3-2-4-6-14)24-21(26-22)15-7-10-17(11-8-15)31(23,28)29;1-30-17-11-12-18(19(27)13-17)22-24-20(14-5-3-2-4-6-14)23-21(25-22)15-7-9-16(10-8-15)26(28)29;1-30-16-9-12-18(19(26)13-16)22-24-20(14-5-3-2-4-6-14)23-21(25-22)15-7-10-17(11-8-15)31(27,28)29;/h2-13,27H,1H3,(H,28,29);2-13,27H,1H3,(H2,23,28,29);2-13,27H,1H3;2-13,26H,1H3,(H,27,28,29);/q;;;;+1/p-1
InChIKeyOAYCOUOROPUPCX-UHFFFAOYSA-M
MW1691.72 g/mol
LogP12.51
Rot. Bonds20

About sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol

sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol (PubChem CID 159941509) has the molecular formula C89H67N14NaO17S2 and a molecular weight of 1691.72 g/mol. Its IUPAC name is sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Namesodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
PubChem CID159941509
Molecular FormulaC89H67N14NaO17S2
Molecular Weight1691.72 g/mol
Exact Mass1690.41
IUPAC Namesodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(=O)O)cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(S(=O)(=O)[O-])cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(S(N)(=O)=O)cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)n2)c(O)c1.[Na+]
InChIInChI=1S/C23H17N3O4.C22H18N4O4S.C22H16N4O4.C22H17N3O5S.Na/c1-30-17-11-12-18(19(27)13-17)22-25-20(14-5-3-2-4-6-14)24-21(26-22)15-7-9-16(10-8-15)23(28)29;1-30-16-9-12-18(19(27)13-16)22-25-20(14-5-3-2-4-6-14)24-21(26-22)15-7-10-17(11-8-15)31(23,28)29;1-30-17-11-12-18(19(27)13-17)22-24-20(14-5-3-2-4-6-14)23-21(25-22)15-7-9-16(10-8-15)26(28)29;1-30-16-9-12-18(19(26)13-16)22-24-20(14-5-3-2-4-6-14)23-21(25-22)15-7-10-17(11-8-15)31(27,28)29;/h2-13,27H,1H3,(H,28,29);2-13,27H,1H3,(H2,23,28,29);2-13,27H,1H3;2-13,26H,1H3,(H,27,28,29);/q;;;;+1/p-1
InChIKeyOAYCOUOROPUPCX-UHFFFAOYSA-M
XLogP12.51
TPSA470.32 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001691.72
LogP ≤ 512.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol with MolForge

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Related Compounds

5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2-(2-hydroxy-4-methoxyphenyl)-5-nitrobenzoic acid
CID 102343962
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 14241911
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;3-[4-(2-hydroxyphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 160945591
3-(4-methoxyphenyl)-5-nitrobenzoic acid
CID 53225450
ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 159906215
benzene-1,3-diol;benzene-1,4-diol;4-bromophenol;4-hydroxybenzoic acid;4-hydroxybenzonitrile;4-methoxyphenol;4-nitrophenol;phenol
CID 157431070
methyl 3-(4-nitrophenyl)-4-phenylbenzoate
CID 71664817
4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
CID 10621568

Frequently Asked Questions

What is the IUPAC name of sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol (CID 159941509) is sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol is COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(=O)O)cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(S(=O)(=O)[O-])cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(S(N)(=O)=O)cc3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)n2)c(O)c1.[Na+].
What is the InChIKey of sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The InChIKey is OAYCOUOROPUPCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17N3O4.C22H18N4O4S.C22H16N4O4.C22H17N3O5S.Na/c1-30-17-11-12-18(19(27)13-17)22-25-20(14-5-3-2-4-6-14)24-21(26-22)15-7-9-16(10-8-15)23(28)29;1-30-16-9-12-18(19(27)13-16)22-25-20(14-5-3-2-4-6-14)24-21(26-22)15-7-10-17(11-8-15)31(23,28)29;1-30-17-11-12-18(19(27)13-17)22-24-20(14-5-3-2-4-6-14)23-21(25-22)15-7-9-16(10-8-15)26(28)29;1-30-16-9-12-18(19(26)13-16)22-24-20(14-5-3-2-4-6-14)23-21(25-22)15-7-10-17(11-8-15)31(27,28)29;/h2-13,27H,1H3,(H,28,29);2-13,27H,1H3,(H2,23,28,29);2-13,27H,1H3;2-13,26H,1H3,(H,27,28,29);/q;;;;+1/p-1.
What are the key properties of sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol has a molecular weight of 1691.72 g/mol, XLogP of 12.51, 20 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonamide;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzenesulfonate;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzoic acid;5-methoxy-2-[4-(4-nitrophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 159941509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).