9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene

C42H52O4 — CID 146564028

IUPAC9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene
SMILESCCCCC(C)OCCOc1ccc(C2(c3ccc(OCCOC(C)(C)CCCC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C42H52O4/c1-6-8-14-32(3)43-28-29-44-35-23-19-33(20-24-35)42(39-17-12-10-15-37(39)38-16-11-13-18-40(38)42)34-21-25-36(26-22-34)45-30-31-46-41(4,5)27-9-7-2/h10-13,15-26,32H,6-9,14,27-31H2,1-5H3
InChIKeyZTKTUAAUWLBCMS-UHFFFAOYSA-N
MW620.87 g/mol
LogP10.39
Rot. Bonds18

About 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene

9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene (PubChem CID 146564028) has the molecular formula C42H52O4 and a molecular weight of 620.87 g/mol. Its IUPAC name is 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene.

Molecular Properties

Compound Name9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene
PubChem CID146564028
Molecular FormulaC42H52O4
Molecular Weight620.87 g/mol
Exact Mass620.39
IUPAC Name9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene
SMILESCCCCC(C)OCCOc1ccc(C2(c3ccc(OCCOC(C)(C)CCCC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C42H52O4/c1-6-8-14-32(3)43-28-29-44-35-23-19-33(20-24-35)42(39-17-12-10-15-37(39)38-16-11-13-18-40(38)42)34-21-25-36(26-22-34)45-30-31-46-41(4,5)27-9-7-2/h10-13,15-26,32H,6-9,14,27-31H2,1-5H3
InChIKeyZTKTUAAUWLBCMS-UHFFFAOYSA-N
XLogP10.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.87
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene with MolForge

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Related Compounds

9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
CID 71465071
2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane
CID 145231729
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene
CID 134525030
2-ethyl-1-[2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethoxy]-2-methylbut-3-en-1-ol
CID 126703897
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
1-[4-[9-[4-(2-sulfanylbutoxy)phenyl]fluoren-9-yl]phenoxy]butane-2-thiol
CID 161470693
1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
CID 139725546
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
CID 68928055

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene?
The IUPAC name of 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene (CID 146564028) is 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene.
What is the SMILES notation for 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene?
The canonical SMILES for 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene is CCCCC(C)OCCOc1ccc(C2(c3ccc(OCCOC(C)(C)CCCC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene?
The InChIKey is ZTKTUAAUWLBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52O4/c1-6-8-14-32(3)43-28-29-44-35-23-19-33(20-24-35)42(39-17-12-10-15-37(39)38-16-11-13-18-40(38)42)34-21-25-36(26-22-34)45-30-31-46-41(4,5)27-9-7-2/h10-13,15-26,32H,6-9,14,27-31H2,1-5H3.
What are the key properties of 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene?
9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene has a molecular weight of 620.87 g/mol, XLogP of 10.39, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-hexan-2-yloxyethoxy)phenyl]-9-[4-[2-(2-methylhexan-2-yloxy)ethoxy]phenyl]fluorene is sourced from PubChem (CID 146564028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).