9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene

C57H74O4 — CID 59821626

IUPAC9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene
SMILESCCCCCCCCc1cc(-c2ccc3c(c2)C(c2ccc(OCCOCC)cc2)(c2ccc(OCCOCC)cc2)c2cc(C)ccc2-3)c(CCCCCCCC)cc1C
InChIInChI=1S/C57H74O4/c1-7-11-13-15-17-19-21-45-41-54(46(40-44(45)6)22-20-18-16-14-12-8-2)47-24-34-53-52-33-23-43(5)39-55(52)57(56(53)42-47,48-25-29-50(30-26-48)60-37-35-58-9-3)49-27-31-51(32-28-49)61-38-36-59-10-4/h23-34,39-42H,7-22,35-38H2,1-6H3
InChIKeyFSANZKUYGJLVQW-UHFFFAOYSA-N
MW823.21 g/mol
LogP14.97
Rot. Bonds27

About 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene

9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene (PubChem CID 59821626) has the molecular formula C57H74O4 and a molecular weight of 823.21 g/mol. Its IUPAC name is 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene
PubChem CID59821626
Molecular FormulaC57H74O4
Molecular Weight823.21 g/mol
Exact Mass822.56
IUPAC Name9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene
SMILESCCCCCCCCc1cc(-c2ccc3c(c2)C(c2ccc(OCCOCC)cc2)(c2ccc(OCCOCC)cc2)c2cc(C)ccc2-3)c(CCCCCCCC)cc1C
InChIInChI=1S/C57H74O4/c1-7-11-13-15-17-19-21-45-41-54(46(40-44(45)6)22-20-18-16-14-12-8-2)47-24-34-53-52-33-23-43(5)39-55(52)57(56(53)42-47,48-25-29-50(30-26-48)60-37-35-58-9-3)49-27-31-51(32-28-49)61-38-36-59-10-4/h23-34,39-42H,7-22,35-38H2,1-6H3
InChIKeyFSANZKUYGJLVQW-UHFFFAOYSA-N
XLogP14.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.21
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-dioctylfluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene;2-methyl-7-(4-methyl-2,5-dioctylphenyl)-9,9-dipropylfluorene;2,7,9,9-tetramethyl-1,4-dipropylfluorene;2,9,9-trimethyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene
CID 91362727
2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane
CID 157345850
1,4-dihexyl-2,5-dimethylbenzene;2-(2,5-dihexyl-4-methylphenyl)-7-methyl-9,9-dioctylfluorene;1-(4-ethoxyphenyl)-2,5-dihexyl-4-methylbenzene;2-(4-ethoxyphenyl)-7-methyl-9,9-dioctylfluorene;bis(iridium);bis(1-(4-methylphenoxy)pentane-2,4-diol)
CID 157139207
9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
CID 123691695
2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene
CID 157195912
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
CID 58274115
2-[4-[2-[4-(2,5-dihexyl-4-methylphenyl)phenoxy]ethoxy]phenyl]-4-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-6-(4-methylphenyl)-1,3,5-triazine;bis(N-[4-[4-[4-(2,5-dihexyl-4-methylphenyl)phenyl]butyl]phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)butyl]phenyl]aniline);2-[4-[2-[2-[[4-(2,5-dihexyl-4-methylphenyl)phenyl]methoxy]ethoxy]ethoxymethyl]phenyl]-4-(4-methylphenyl)-6-[4-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxymethyl]phenyl]-1,3,5-triazine
CID 159555018

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene?
The IUPAC name of 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene (CID 59821626) is 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene.
What is the SMILES notation for 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene?
The canonical SMILES for 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene is CCCCCCCCc1cc(-c2ccc3c(c2)C(c2ccc(OCCOCC)cc2)(c2ccc(OCCOCC)cc2)c2cc(C)ccc2-3)c(CCCCCCCC)cc1C.
What is the InChIKey of 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene?
The InChIKey is FSANZKUYGJLVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H74O4/c1-7-11-13-15-17-19-21-45-41-54(46(40-44(45)6)22-20-18-16-14-12-8-2)47-24-34-53-52-33-23-43(5)39-55(52)57(56(53)42-47,48-25-29-50(30-26-48)60-37-35-58-9-3)49-27-31-51(32-28-49)61-38-36-59-10-4/h23-34,39-42H,7-22,35-38H2,1-6H3.
What are the key properties of 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene?
9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene has a molecular weight of 823.21 g/mol, XLogP of 14.97, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene is sourced from PubChem (CID 59821626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).