4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol

C65H59F3O6 — CID 129056201

IUPAC4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol
SMILESCC1(C)c2cc(CCc3cc(CO)c(O)c(CO)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(CCc7cc(CO)c(O)c(CO)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C65H59F3O6/c1-62(2)54-26-36(6-8-38-22-44(32-69)60(73)45(23-38)33-70)10-16-48(54)50-18-12-40(28-56(50)62)42-14-20-52-53-21-15-43(31-59(53)64(5,58(52)30-42)65(66,67)68)41-13-19-51-49-17-11-37(27-55(49)63(3,4)57(51)29-41)7-9-39-24-46(34-71)61(74)47(25-39)35-72/h10-31,69-74H,6-9,32-35H2,1-5H3
InChIKeySKCIGLOZVPHMOQ-UHFFFAOYSA-N
MW993.17 g/mol
LogP13.43
Rot. Bonds12

About 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol

4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 129056201) has the molecular formula C65H59F3O6 and a molecular weight of 993.17 g/mol. Its IUPAC name is 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol
PubChem CID129056201
Molecular FormulaC65H59F3O6
Molecular Weight993.17 g/mol
Exact Mass992.43
IUPAC Name4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol
SMILESCC1(C)c2cc(CCc3cc(CO)c(O)c(CO)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(CCc7cc(CO)c(O)c(CO)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C65H59F3O6/c1-62(2)54-26-36(6-8-38-22-44(32-69)60(73)45(23-38)33-70)10-16-48(54)50-18-12-40(28-56(50)62)42-14-20-52-53-21-15-43(31-59(53)64(5,58(52)30-42)65(66,67)68)41-13-19-51-49-17-11-37(27-55(49)63(3,4)57(51)29-41)7-9-39-24-46(34-71)61(74)47(25-39)35-72/h10-31,69-74H,6-9,32-35H2,1-5H3
InChIKeySKCIGLOZVPHMOQ-UHFFFAOYSA-N
XLogP13.43
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.17
LogP ≤ 513.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol with MolForge

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Related Compounds

2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol
CID 90398124
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
4-[2-[2-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]-9-methylfluoren-9-yl]ethyl]-2,6-bis(hydroxymethyl)phenol
CID 121474151
4-[9,9-dimethyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]butyl prop-2-enoate
CID 129041346
[9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate
CID 129041394
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648
4-[2-[2-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]-9-[[4-hydroxy-3,5-bis(hydroxymethyl)phenoxy]methyl]fluoren-9-yl]ethoxy]-2,6-bis(hydroxymethyl)phenol
CID 90394303
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512956
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813

Frequently Asked Questions

What is the IUPAC name of 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol (CID 129056201) is 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol is CC1(C)c2cc(CCc3cc(CO)c(O)c(CO)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(CCc7cc(CO)c(O)c(CO)c7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is SKCIGLOZVPHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H59F3O6/c1-62(2)54-26-36(6-8-38-22-44(32-69)60(73)45(23-38)33-70)10-16-48(54)50-18-12-40(28-56(50)62)42-14-20-52-53-21-15-43(31-59(53)64(5,58(52)30-42)65(66,67)68)41-13-19-51-49-17-11-37(27-55(49)63(3,4)57(51)29-41)7-9-39-24-46(34-71)61(74)47(25-39)35-72/h10-31,69-74H,6-9,32-35H2,1-5H3.
What are the key properties of 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol?
4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 993.17 g/mol, XLogP of 13.43, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 129056201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).