6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol

C135H126F10N4O16 — CID 163856673

IUPAC6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol
SMILESCC(C)c1ccc2c(c1)C(C)(C)Oc1cc(-c3ccccn3)cc(O)c1-2.CC(C)c1ccc2c(c1)C(C)(C)Oc1cc(C(=O)Nc3ccccc3)cc(O)c1-2.CC1(C)Oc2cc(C#Cc3ccccc3)cc(O)c2-c2ccc(C(F)(F)F)cc21.CN1CCN(C(=O)c2cc(O)c3c(c2)OC(C)(C)c2cc(C(F)(F)F)ccc2-3)CC1.Cc1cc(O)c2c(c1)OC(C)(C)c1cc(C(F)(F)F)ccc1-2.Cc1ccc(C(=O)c2cc(O)c3c(c2)OC(C)(C)c2cc(C(C)C)c(F)cc2-3)o1
InChIInChI=1S/C25H25NO3.C24H17F3O2.C24H23FO4.C23H23NO2.C22H23F3N2O3.C17H15F3O2/c1-15(2)16-10-11-19-20(12-16)25(3,4)29-22-14-17(13-21(27)23(19)22)24(28)26-18-8-6-5-7-9-18;1-23(2)19-14-17(24(25,26)27)10-11-18(19)22-20(28)12-16(13-21(22)29-23)9-8-15-6-4-3-5-7-15;1-12(2)15-10-17-16(11-18(15)25)22-19(26)8-14(9-21(22)29-24(17,4)5)23(27)20-7-6-13(3)28-20;1-14(2)15-8-9-17-18(11-15)23(3,4)26-21-13-16(12-20(25)22(17)21)19-7-5-6-10-24-19;1-21(2)16-12-14(22(23,24)25)4-5-15(16)19-17(28)10-13(11-18(19)30-21)20(29)27-8-6-26(3)7-9-27;1-9-6-13(21)15-11-5-4-10(17(18,19)20)8-12(11)16(2,3)22-14(15)7-9/h5-15,27H,1-4H3,(H,26,28);3-7,10-14,28H,1-2H3;6-12,26H,1-5H3;5-14,25H,1-4H3;4-5,10-12,28H,6-9H2,1-3H3;4-8,21H,1-3H3
InChIKeyOYWNZCQXXVZKHU-UHFFFAOYSA-N
MW2250.48 g/mol
LogP33.23
Rot. Bonds9

About 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol

6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol (PubChem CID 163856673) has the molecular formula C135H126F10N4O16 and a molecular weight of 2250.48 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol.

Molecular Properties

Compound Name6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol
PubChem CID163856673
Molecular FormulaC135H126F10N4O16
Molecular Weight2250.48 g/mol
Exact Mass2248.90
IUPAC Name6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol
SMILESCC(C)c1ccc2c(c1)C(C)(C)Oc1cc(-c3ccccn3)cc(O)c1-2.CC(C)c1ccc2c(c1)C(C)(C)Oc1cc(C(=O)Nc3ccccc3)cc(O)c1-2.CC1(C)Oc2cc(C#Cc3ccccc3)cc(O)c2-c2ccc(C(F)(F)F)cc21.CN1CCN(C(=O)c2cc(O)c3c(c2)OC(C)(C)c2cc(C(F)(F)F)ccc2-3)CC1.Cc1cc(O)c2c(c1)OC(C)(C)c1cc(C(F)(F)F)ccc1-2.Cc1ccc(C(=O)c2cc(O)c3c(c2)OC(C)(C)c2cc(C(C)C)c(F)cc2-3)o1
InChIInChI=1S/C25H25NO3.C24H17F3O2.C24H23FO4.C23H23NO2.C22H23F3N2O3.C17H15F3O2/c1-15(2)16-10-11-19-20(12-16)25(3,4)29-22-14-17(13-21(27)23(19)22)24(28)26-18-8-6-5-7-9-18;1-23(2)19-14-17(24(25,26)27)10-11-18(19)22-20(28)12-16(13-21(22)29-23)9-8-15-6-4-3-5-7-15;1-12(2)15-10-17-16(11-18(15)25)22-19(26)8-14(9-21(22)29-24(17,4)5)23(27)20-7-6-13(3)28-20;1-14(2)15-8-9-17-18(11-15)23(3,4)26-21-13-16(12-20(25)22(17)21)19-7-5-6-10-24-19;1-21(2)16-12-14(22(23,24)25)4-5-15(16)19-17(28)10-13(11-18(19)30-21)20(29)27-8-6-26(3)7-9-27;1-9-6-13(21)15-11-5-4-10(17(18,19)20)8-12(11)16(2,3)22-14(15)7-9/h5-15,27H,1-4H3,(H,26,28);3-7,10-14,28H,1-2H3;6-12,26H,1-5H3;5-14,25H,1-4H3;4-5,10-12,28H,6-9H2,1-3H3;4-8,21H,1-3H3
InChIKeyOYWNZCQXXVZKHU-UHFFFAOYSA-N
XLogP33.23
TPSA272.51 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002250.48
LogP ≤ 533.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol?
The IUPAC name of 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol (CID 163856673) is 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol.
What is the SMILES notation for 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol?
The canonical SMILES for 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol is CC(C)c1ccc2c(c1)C(C)(C)Oc1cc(-c3ccccn3)cc(O)c1-2.CC(C)c1ccc2c(c1)C(C)(C)Oc1cc(C(=O)Nc3ccccc3)cc(O)c1-2.CC1(C)Oc2cc(C#Cc3ccccc3)cc(O)c2-c2ccc(C(F)(F)F)cc21.CN1CCN(C(=O)c2cc(O)c3c(c2)OC(C)(C)c2cc(C(F)(F)F)ccc2-3)CC1.Cc1cc(O)c2c(c1)OC(C)(C)c1cc(C(F)(F)F)ccc1-2.Cc1ccc(C(=O)c2cc(O)c3c(c2)OC(C)(C)c2cc(C(C)C)c(F)cc2-3)o1.
What is the InChIKey of 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol?
The InChIKey is OYWNZCQXXVZKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3.C24H17F3O2.C24H23FO4.C23H23NO2.C22H23F3N2O3.C17H15F3O2/c1-15(2)16-10-11-19-20(12-16)25(3,4)29-22-14-17(13-21(27)23(19)22)24(28)26-18-8-6-5-7-9-18;1-23(2)19-14-17(24(25,26)27)10-11-18(19)22-20(28)12-16(13-21(22)29-23)9-8-15-6-4-3-5-7-15;1-12(2)15-10-17-16(11-18(15)25)22-19(26)8-14(9-21(22)29-24(17,4)5)23(27)20-7-6-13(3)28-20;1-14(2)15-8-9-17-18(11-15)23(3,4)26-21-13-16(12-20(25)22(17)21)19-7-5-6-10-24-19;1-21(2)16-12-14(22(23,24)25)4-5-15(16)19-17(28)10-13(11-18(19)30-21)20(29)27-8-6-26(3)7-9-27;1-9-6-13(21)15-11-5-4-10(17(18,19)20)8-12(11)16(2,3)22-14(15)7-9/h5-15,27H,1-4H3,(H,26,28);3-7,10-14,28H,1-2H3;6-12,26H,1-5H3;5-14,25H,1-4H3;4-5,10-12,28H,6-9H2,1-3H3;4-8,21H,1-3H3.
What are the key properties of 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol?
6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol has a molecular weight of 2250.48 g/mol, XLogP of 33.23, 9 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(2-phenylethynyl)-8-(trifluoromethyl)benzo[c]chromen-1-ol;6,6-dimethyl-8-propan-2-yl-3-pyridin-2-ylbenzo[c]chromen-1-ol;(9-fluoro-1-hydroxy-6,6-dimethyl-8-propan-2-ylbenzo[c]chromen-3-yl)-(5-methylfuran-2-yl)methanone;1-hydroxy-6,6-dimethyl-N-phenyl-8-propan-2-ylbenzo[c]chromene-3-carboxamide;[1-hydroxy-6,6-dimethyl-8-(trifluoromethyl)benzo[c]chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;3,6,6-trimethyl-8-(trifluoromethyl)benzo[c]chromen-1-ol is sourced from PubChem (CID 163856673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).