9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene

C42H34O2 — CID 121288776

IUPAC9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
SMILESCC1(c2ccc(OCCOc3ccc(C4(C)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C42H34O2/c1-41(37-15-7-3-11-33(37)34-12-4-8-16-38(34)41)29-19-23-31(24-20-29)43-27-28-44-32-25-21-30(22-26-32)42(2)39-17-9-5-13-35(39)36-14-6-10-18-40(36)42/h3-26H,27-28H2,1-2H3
InChIKeyUABRJSYDKDPRBD-UHFFFAOYSA-N
MW570.73 g/mol
LogP9.81
Rot. Bonds7

About 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene

9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene (PubChem CID 121288776) has the molecular formula C42H34O2 and a molecular weight of 570.73 g/mol. Its IUPAC name is 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene.

Molecular Properties

Compound Name9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
PubChem CID121288776
Molecular FormulaC42H34O2
Molecular Weight570.73 g/mol
Exact Mass570.26
IUPAC Name9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
SMILESCC1(c2ccc(OCCOc3ccc(C4(C)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C42H34O2/c1-41(37-15-7-3-11-33(37)34-12-4-8-16-38(34)41)29-19-23-31(24-20-29)43-27-28-44-32-25-21-30(22-26-32)42(2)39-17-9-5-13-35(39)36-14-6-10-18-40(36)42/h3-26H,27-28H2,1-2H3
InChIKeyUABRJSYDKDPRBD-UHFFFAOYSA-N
XLogP9.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.73
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol
CID 118667902
9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
CID 135250997
9-(4-fluorophenyl)-9-methylfluorene
CID 71401006
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene
CID 159904339
9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
CID 71465071
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene?
The IUPAC name of 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene (CID 121288776) is 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene.
What is the SMILES notation for 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene?
The canonical SMILES for 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene is CC1(c2ccc(OCCOc3ccc(C4(C)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene?
The InChIKey is UABRJSYDKDPRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O2/c1-41(37-15-7-3-11-33(37)34-12-4-8-16-38(34)41)29-19-23-31(24-20-29)43-27-28-44-32-25-21-30(22-26-32)42(2)39-17-9-5-13-35(39)36-14-6-10-18-40(36)42/h3-26H,27-28H2,1-2H3.
What are the key properties of 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene?
9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene has a molecular weight of 570.73 g/mol, XLogP of 9.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene is sourced from PubChem (CID 121288776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).