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

C55H50O3 — CID 121474151

IUPAC4-[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
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(CCc5cc(CO)c(O)c(CO)c5)c5ccccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C55H50O3/c1-32-11-16-41-42-17-12-34(26-48(42)53(2,3)47(41)23-32)35-13-18-43-44-19-14-36(28-50(44)54(4,5)49(43)27-35)37-15-20-45-40-9-7-8-10-46(40)55(6,51(45)29-37)22-21-33-24-38(30-56)52(58)39(25-33)31-57/h7-20,23-29,56-58H,21-22,30-31H2,1-6H3
InChIKeyHJPHCQCVIIRKOT-UHFFFAOYSA-N
MW759.00 g/mol
LogP12.55
Rot. Bonds7

About 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

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 (PubChem CID 121474151) has the molecular formula C55H50O3 and a molecular weight of 759.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID121474151
Molecular FormulaC55H50O3
Molecular Weight759.00 g/mol
Exact Mass758.38
IUPAC Name4-[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
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(CCc5cc(CO)c(O)c(CO)c5)c5ccccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C55H50O3/c1-32-11-16-41-42-17-12-34(26-48(42)53(2,3)47(41)23-32)35-13-18-43-44-19-14-36(28-50(44)54(4,5)49(43)27-35)37-15-20-45-40-9-7-8-10-46(40)55(6,51(45)29-37)22-21-33-24-38(30-56)52(58)39(25-33)31-57/h7-20,23-29,56-58H,21-22,30-31H2,1-6H3
InChIKeyHJPHCQCVIIRKOT-UHFFFAOYSA-N
XLogP12.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.00
LogP ≤ 512.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[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
2,9-dimethyl-9-propylfluorene
CID 58051803
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 157292922

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-methylfluoren-9-yl]ethyl]-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-methylfluoren-9-yl]ethyl]-2,6-bis(hydroxymethyl)phenol (CID 121474151) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(CCc5cc(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-methylfluoren-9-yl]ethyl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is HJPHCQCVIIRKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50O3/c1-32-11-16-41-42-17-12-34(26-48(42)53(2,3)47(41)23-32)35-13-18-43-44-19-14-36(28-50(44)54(4,5)49(43)27-35)37-15-20-45-40-9-7-8-10-46(40)55(6,51(45)29-37)22-21-33-24-38(30-56)52(58)39(25-33)31-57/h7-20,23-29,56-58H,21-22,30-31H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 759.00 g/mol, XLogP of 12.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 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-methylfluoren-9-yl]ethyl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 121474151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).