[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol

C36H28O3 — CID 160805609

IUPAC[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
SMILESCCOc1ccc2cc(C3(c4ccc5cc(OCO)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C36H28O3/c1-2-38-30-17-13-24-19-28(15-11-26(24)21-30)36(29-16-12-27-22-31(39-23-37)18-14-25(27)20-29)34-9-5-3-7-32(34)33-8-4-6-10-35(33)36/h3-22,37H,2,23H2,1H3
InChIKeySDQJFQVZOKFNEA-UHFFFAOYSA-N
MW508.62 g/mol
LogP8.08
Rot. Bonds6

About [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol

[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol (PubChem CID 160805609) has the molecular formula C36H28O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol.

Molecular Properties

Compound Name[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
PubChem CID160805609
Molecular FormulaC36H28O3
Molecular Weight508.62 g/mol
Exact Mass508.20
IUPAC Name[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
SMILESCCOc1ccc2cc(C3(c4ccc5cc(OCO)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C36H28O3/c1-2-38-30-17-13-24-19-28(15-11-26(24)21-30)36(29-16-12-27-22-31(39-23-37)18-14-25(27)20-29)34-9-5-3-7-32(34)33-8-4-6-10-35(33)36/h3-22,37H,2,23H2,1H3
InChIKeySDQJFQVZOKFNEA-UHFFFAOYSA-N
XLogP8.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 146486948
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyethyl methanesulfonate
CID 144725709
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
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-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
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 [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol?
The IUPAC name of [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol (CID 160805609) is [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol.
What is the SMILES notation for [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol?
The canonical SMILES for [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol is CCOc1ccc2cc(C3(c4ccc5cc(OCO)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol?
The InChIKey is SDQJFQVZOKFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O3/c1-2-38-30-17-13-24-19-28(15-11-26(24)21-30)36(29-16-12-27-22-31(39-23-37)18-14-25(27)20-29)34-9-5-3-7-32(34)33-8-4-6-10-35(33)36/h3-22,37H,2,23H2,1H3.
What are the key properties of [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol?
[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol has a molecular weight of 508.62 g/mol, XLogP of 8.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol is sourced from PubChem (CID 160805609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).