9,9-bis(6-ethoxynaphthalen-2-yl)fluorene

C37H30O2 — CID 166857178

IUPAC9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
SMILESCCOc1ccc2cc(C3(c4ccc5cc(OCC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C37H30O2/c1-3-38-31-19-15-25-21-29(17-13-27(25)23-31)37(30-18-14-28-24-32(39-4-2)20-16-26(28)22-30)35-11-7-5-9-33(35)34-10-6-8-12-36(34)37/h5-24H,3-4H2,1-2H3
InChIKeyPMACIPFKQQLTGR-UHFFFAOYSA-N
MW506.65 g/mol
LogP9.15
Rot. Bonds6

About 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene

9,9-bis(6-ethoxynaphthalen-2-yl)fluorene (PubChem CID 166857178) has the molecular formula C37H30O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene.

Molecular Properties

Compound Name9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
PubChem CID166857178
Molecular FormulaC37H30O2
Molecular Weight506.65 g/mol
Exact Mass506.22
IUPAC Name9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
SMILESCCOc1ccc2cc(C3(c4ccc5cc(OCC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C37H30O2/c1-3-38-31-19-15-25-21-29(17-13-27(25)23-31)37(30-18-14-28-24-32(39-4-2)20-16-26(28)22-30)35-11-7-5-9-33(35)34-10-6-8-12-36(34)37/h5-24H,3-4H2,1-2H3
InChIKeyPMACIPFKQQLTGR-UHFFFAOYSA-N
XLogP9.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
CID 160805609
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 146486948
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
CID 118667882
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
CID 161116594
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyethyl methanesulfonate
CID 144725709
2-(6-ethoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 134294373
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene?
The IUPAC name of 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene (CID 166857178) is 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene.
What is the SMILES notation for 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene?
The canonical SMILES for 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene is CCOc1ccc2cc(C3(c4ccc5cc(OCC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene?
The InChIKey is PMACIPFKQQLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O2/c1-3-38-31-19-15-25-21-29(17-13-27(25)23-31)37(30-18-14-28-24-32(39-4-2)20-16-26(28)22-30)35-11-7-5-9-33(35)34-10-6-8-12-36(34)37/h5-24H,3-4H2,1-2H3.
What are the key properties of 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene?
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene has a molecular weight of 506.65 g/mol, XLogP of 9.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(6-ethoxynaphthalen-2-yl)fluorene is sourced from PubChem (CID 166857178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).