1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol

C109H67F6NO6S2 — CID 159263281

IUPAC1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol
SMILESOc1c(-c2cc3ccccc3c3ccccc23)cc2ccccc2c1-c1c(O)c(-c2cc3ccccc3c3ccccc23)cc2ccccc12.Oc1c(-c2cccc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2ccccc12.Oc1c(-c2cccs2)cc2ccccc2c1-c1c(O)c(-c2cccs2)cc2ccccc12
InChIInChI=1S/C48H30O2.C33H19F6NO2.C28H18O2S2/c49-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)50)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42;34-32(35,36)22-9-5-8-18(14-22)25-15-19-6-1-3-10-23(19)28(30(25)41)29-24-11-4-2-7-20(24)16-26(31(29)42)21-12-13-40-27(17-21)33(37,38)39;29-27-21(23-11-5-13-31-23)15-17-7-1-3-9-19(17)25(27)26-20-10-4-2-8-18(20)16-22(28(26)30)24-12-6-14-32-24/h1-28,49-50H;1-17,41-42H;1-16,29-30H
InChIKeyKWTWSFCOVPMUKU-UHFFFAOYSA-N
MW1664.86 g/mol
LogP31.38
Rot. Bonds9

About 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol

1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol (PubChem CID 159263281) has the molecular formula C109H67F6NO6S2 and a molecular weight of 1664.86 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol
PubChem CID159263281
Molecular FormulaC109H67F6NO6S2
Molecular Weight1664.86 g/mol
Exact Mass1663.43
IUPAC Name1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol
SMILESOc1c(-c2cc3ccccc3c3ccccc23)cc2ccccc2c1-c1c(O)c(-c2cc3ccccc3c3ccccc23)cc2ccccc12.Oc1c(-c2cccc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2ccccc12.Oc1c(-c2cccs2)cc2ccccc2c1-c1c(O)c(-c2cccs2)cc2ccccc12
InChIInChI=1S/C48H30O2.C33H19F6NO2.C28H18O2S2/c49-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)50)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42;34-32(35,36)22-9-5-8-18(14-22)25-15-19-6-1-3-10-23(19)28(30(25)41)29-24-11-4-2-7-20(24)16-26(31(29)42)21-12-13-40-27(17-21)33(37,38)39;29-27-21(23-11-5-13-31-23)15-17-7-1-3-9-19(17)25(27)26-20-10-4-2-8-18(20)16-22(28(26)30)24-12-6-14-32-24/h1-28,49-50H;1-17,41-42H;1-16,29-30H
InChIKeyKWTWSFCOVPMUKU-UHFFFAOYSA-N
XLogP31.38
TPSA134.27 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001664.86
LogP ≤ 531.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol with MolForge

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Related Compounds

Bis(acetonitrile);bis(4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2-methyl-4-pyridinyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-2-methylpyridine);bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)
CID 139042013
6-[9-[3-Hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)pyridin-4-yl]naphthalen-1-yl]-3-[2-(trifluoromethyl)pyridin-4-yl]naphthalen-2-ol
CID 129180790
5-[[2-(2-Fluoropropan-2-ylsulfanyl)phenyl]methyl]-3-[[4-(4-methylcyclohexyl)phenyl]methyl]isoquinolin-6-ol
CID 136627684
1-[2-Hydroxy-3-[2-(trifluoromethyl)pyridin-4-yl]naphthalen-1-yl]-3-[2-(trifluoromethyl)pyridin-4-yl]naphthalen-2-ol
CID 137223589
1-[2-Hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol
CID 159263282
4-[2-[4-[2-(4-Hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methyl-6-(1-naphthalen-1-ylethyl)phenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methyl-6-(1-phenylethyl)phenol;4-[2-[3-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[3-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine;hydrofluoride
CID 157567917
4-[2-[3-[2-(4-Hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methyl-6-(1-pyridin-4-ylethyl)phenol;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methyl-6-(1-thiophen-3-ylethyl)phenol
CID 158474875
Carbon dioxide;bis(2,6-dimethylnaphthalene);bis(2,7-dimethylnaphthalene);2-ethyl-6-methylnaphthalene;methane;2-methyl-6-(4-methylphenyl)naphthalene;2-methylnaphthalene;bis(3-methylnaphthalen-2-ol);2-(6-methylnaphthalen-2-yl)thiophene;2-methyl-6-phenylnaphthalene;6-methylquinoline
CID 160212109
4-[2-[4-[2-[4-Hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 160468908
15,44-Dithiophen-2-yl-12,19,40,47-tetrazaundecacyclo[47.7.1.12,10.121,29.130,38.03,8.013,18.023,28.031,36.041,46.051,56]hexaconta-1(57),2(60),3,5,7,9,11,13(18),14,16,19,21,23,25,27,29(59),30(58),31,33,35,37,39,41(46),42,44,47,49,51,53,55-triacontaene-57,58,59,60-tetrol
CID 122227626
(Z,1S,2R,3R)-2-ethenyl-7-(4-hydroxynaphthalen-1-yl)-6-pyridin-2-yl-1-thiophen-2-ylhept-6-ene-1,3-diol
CID 135707658
3-Methyl-4-(12-thia-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,20-octaen-5-yl)phenol
CID 170678552

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol?
The IUPAC name of 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol (CID 159263281) is 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol is Oc1c(-c2cc3ccccc3c3ccccc23)cc2ccccc2c1-c1c(O)c(-c2cc3ccccc3c3ccccc23)cc2ccccc12.Oc1c(-c2cccc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2ccccc12.Oc1c(-c2cccs2)cc2ccccc2c1-c1c(O)c(-c2cccs2)cc2ccccc12.
What is the InChIKey of 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol?
The InChIKey is KWTWSFCOVPMUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O2.C33H19F6NO2.C28H18O2S2/c49-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)50)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42;34-32(35,36)22-9-5-8-18(14-22)25-15-19-6-1-3-10-23(19)28(30(25)41)29-24-11-4-2-7-20(24)16-26(31(29)42)21-12-13-40-27(17-21)33(37,38)39;29-27-21(23-11-5-13-31-23)15-17-7-1-3-9-19(17)25(27)26-20-10-4-2-8-18(20)16-22(28(26)30)24-12-6-14-32-24/h1-28,49-50H;1-17,41-42H;1-16,29-30H.
What are the key properties of 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol?
1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol has a molecular weight of 1664.86 g/mol, XLogP of 31.38, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol;1-(2-hydroxy-3-thiophen-2-ylnaphthalen-1-yl)-3-thiophen-2-ylnaphthalen-2-ol;1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol is sourced from PubChem (CID 159263281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).