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

C63H58O8 — CID 90394303

IUPAC4-[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
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(CCOc5cc(CO)c(O)c(CO)c5)(COc5cc(CO)c(O)c(CO)c5)c5ccccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C63H58O8/c1-36-10-15-48-49-16-11-37(27-55(49)61(2,3)54(48)22-36)38-12-17-50-51-18-13-39(29-57(51)62(4,5)56(50)28-38)40-14-19-52-47-8-6-7-9-53(47)63(58(52)30-40,35-71-46-25-43(33-66)60(69)44(26-46)34-67)20-21-70-45-23-41(31-64)59(68)42(24-45)32-65/h6-19,22-30,64-69H,20-21,31-35H2,1-5H3
InChIKeyJZPSNCZVRVXEMH-UHFFFAOYSA-N
MW943.15 g/mol
LogP12.14
Rot. Bonds13

About 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

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 (PubChem CID 90394303) has the molecular formula C63H58O8 and a molecular weight of 943.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID90394303
Molecular FormulaC63H58O8
Molecular Weight943.15 g/mol
Exact Mass942.41
IUPAC Name4-[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
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(CCOc5cc(CO)c(O)c(CO)c5)(COc5cc(CO)c(O)c(CO)c5)c5ccccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C63H58O8/c1-36-10-15-48-49-16-11-37(27-55(49)61(2,3)54(48)22-36)38-12-17-50-51-18-13-39(29-57(51)62(4,5)56(50)28-38)40-14-19-52-47-8-6-7-9-53(47)63(58(52)30-40,35-71-46-25-43(33-66)60(69)44(26-46)34-67)20-21-70-45-23-41(31-64)59(68)42(24-45)32-65/h6-19,22-30,64-69H,20-21,31-35H2,1-5H3
InChIKeyJZPSNCZVRVXEMH-UHFFFAOYSA-N
XLogP12.14
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.15
LogP ≤ 512.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
4-[3-[2,7-bis(7-tert-butylpyren-1-yl)-9-[[4-hydroxy-3,5-bis(hydroxymethyl)phenoxy]methyl]fluoren-9-yl]propoxy]-2,6-bis(hydroxymethyl)phenol
CID 118652648
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol
CID 102086579
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(CCOc5cc(CO)c(O)c(CO)c5)(COc5cc(CO)c(O)c(CO)c5)c5ccccc5-6)ccc3-4)ccc1-2.
What is the InChIKey of 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?
The InChIKey is JZPSNCZVRVXEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H58O8/c1-36-10-15-48-49-16-11-37(27-55(49)61(2,3)54(48)22-36)38-12-17-50-51-18-13-39(29-57(51)62(4,5)56(50)28-38)40-14-19-52-47-8-6-7-9-53(47)63(58(52)30-40,35-71-46-25-43(33-66)60(69)44(26-46)34-67)20-21-70-45-23-41(31-64)59(68)42(24-45)32-65/h6-19,22-30,64-69H,20-21,31-35H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 943.15 g/mol, XLogP of 12.14, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90394303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).