3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol

C172H162N3O11+ — CID 158294996

IUPAC3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol
SMILESCc1ccc(C2(c3ccc(O)c(C)c3)CCCCC2)cc1C.Cc1ccc(C2(c3ccc(O)cc3)C(=O)c3ccccc3N2c2ccccc2)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC(C)CC(C)(C)C2)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3C(c3ccccc3)[N+]2=O)cc1.O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/2C27H21NO2.C26H19NO3.C26H20O.C23H26O.C22H28O.C21H26O/c1-19-11-13-20(14-12-19)27(21-15-17-23(29)18-16-21)26(30)24-9-5-6-10-25(24)28(27)22-7-3-2-4-8-22;1-19-11-13-21(14-12-19)27(22-15-17-23(29)18-16-22)25-10-6-5-9-24(25)26(28(27)30)20-7-3-2-4-8-20;28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-15-5-7-17(8-6-15)23(18-9-11-19(24)12-10-18)14-16-13-22(23)21-4-2-3-20(16)21;1-16-5-7-18(8-6-16)22(19-9-11-20(23)12-10-19)14-17(2)13-21(3,4)15-22;1-15-7-8-18(13-16(15)2)21(11-5-4-6-12-21)19-9-10-20(22)17(3)14-19/h2-18,29H,1H3;2-18,26H,1H3;1-17,28-29H;2-17,27H,1H3;5-12,16,20-22,24H,2-4,13-14H2,1H3;5-12,17,23H,13-15H2,1-4H3;7-10,13-14,22H,4-6,11-12H2,1-3H3/p+1
InChIKeyLEVFSODIFRIFFR-UHFFFAOYSA-O
MW2447.20 g/mol
LogP39.81
Rot. Bonds17

About 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol

3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol (PubChem CID 158294996) has the molecular formula C172H162N3O11+ and a molecular weight of 2447.20 g/mol. Its IUPAC name is 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol
PubChem CID158294996
Molecular FormulaC172H162N3O11+
Molecular Weight2447.20 g/mol
Exact Mass2445.22
IUPAC Name3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol
SMILESCc1ccc(C2(c3ccc(O)c(C)c3)CCCCC2)cc1C.Cc1ccc(C2(c3ccc(O)cc3)C(=O)c3ccccc3N2c2ccccc2)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC(C)CC(C)(C)C2)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3C(c3ccccc3)[N+]2=O)cc1.O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/2C27H21NO2.C26H19NO3.C26H20O.C23H26O.C22H28O.C21H26O/c1-19-11-13-20(14-12-19)27(21-15-17-23(29)18-16-21)26(30)24-9-5-6-10-25(24)28(27)22-7-3-2-4-8-22;1-19-11-13-21(14-12-19)27(22-15-17-23(29)18-16-22)25-10-6-5-9-24(25)26(28(27)30)20-7-3-2-4-8-20;28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-15-5-7-17(8-6-15)23(18-9-11-19(24)12-10-18)14-16-13-22(23)21-4-2-3-20(16)21;1-16-5-7-18(8-6-16)22(19-9-11-20(23)12-10-19)14-17(2)13-21(3,4)15-22;1-15-7-8-18(13-16(15)2)21(11-5-4-6-12-21)19-9-10-20(22)17(3)14-19/h2-18,29H,1H3;2-18,26H,1H3;1-17,28-29H;2-17,27H,1H3;5-12,16,20-22,24H,2-4,13-14H2,1H3;5-12,17,23H,13-15H2,1-4H3;7-10,13-14,22H,4-6,11-12H2,1-3H3/p+1
InChIKeyLEVFSODIFRIFFR-UHFFFAOYSA-O
XLogP39.81
TPSA222.54 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002447.20
LogP ≤ 539.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol?
The IUPAC name of 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol (CID 158294996) is 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol.
What is the SMILES notation for 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol?
The canonical SMILES for 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol is Cc1ccc(C2(c3ccc(O)c(C)c3)CCCCC2)cc1C.Cc1ccc(C2(c3ccc(O)cc3)C(=O)c3ccccc3N2c2ccccc2)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC(C)CC(C)(C)C2)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3C(c3ccccc3)[N+]2=O)cc1.O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1.
What is the InChIKey of 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol?
The InChIKey is LEVFSODIFRIFFR-UHFFFAOYSA-O. The full InChI is InChI=1S/2C27H21NO2.C26H19NO3.C26H20O.C23H26O.C22H28O.C21H26O/c1-19-11-13-20(14-12-19)27(21-15-17-23(29)18-16-21)26(30)24-9-5-6-10-25(24)28(27)22-7-3-2-4-8-22;1-19-11-13-21(14-12-19)27(22-15-17-23(29)18-16-22)25-10-6-5-9-24(25)26(28(27)30)20-7-3-2-4-8-20;28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-15-5-7-17(8-6-15)23(18-9-11-19(24)12-10-18)14-16-13-22(23)21-4-2-3-20(16)21;1-16-5-7-18(8-6-16)22(19-9-11-20(23)12-10-19)14-17(2)13-21(3,4)15-22;1-15-7-8-18(13-16(15)2)21(11-5-4-6-12-21)19-9-10-20(22)17(3)14-19/h2-18,29H,1H3;2-18,26H,1H3;1-17,28-29H;2-17,27H,1H3;5-12,16,20-22,24H,2-4,13-14H2,1H3;5-12,17,23H,13-15H2,1-4H3;7-10,13-14,22H,4-6,11-12H2,1-3H3/p+1.
What are the key properties of 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol?
3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol has a molecular weight of 2447.20 g/mol, XLogP of 39.81, 17 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one;4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenol;2-(4-hydroxyphenyl)-2-(4-methylphenyl)-1-phenylindol-3-one;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-2-oxo-3-phenyl-3H-isoindol-2-ium-1-yl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;4-[3,3,5-trimethyl-1-(4-methylphenyl)cyclohexyl]phenol is sourced from PubChem (CID 158294996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).