1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol

C41H38O4 — CID 146486948

IUPAC1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
SMILESCCC(O)COc1ccc2cc(C3(c4ccc5cc(OCC(O)CC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C41H38O4/c1-3-33(42)25-44-35-19-15-27-21-31(17-13-29(27)23-35)41(39-11-7-5-9-37(39)38-10-6-8-12-40(38)41)32-18-14-30-24-36(20-16-28(30)22-32)45-26-34(43)4-2/h5-24,33-34,42-43H,3-4,25-26H2,1-2H3
InChIKeyRDPPEHVVPDRFDP-UHFFFAOYSA-N
MW594.75 g/mol
LogP8.66
Rot. Bonds10

About 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol

1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol (PubChem CID 146486948) has the molecular formula C41H38O4 and a molecular weight of 594.75 g/mol. Its IUPAC name is 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol.

Molecular Properties

Compound Name1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
PubChem CID146486948
Molecular FormulaC41H38O4
Molecular Weight594.75 g/mol
Exact Mass594.28
IUPAC Name1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
SMILESCCC(O)COc1ccc2cc(C3(c4ccc5cc(OCC(O)CC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C41H38O4/c1-3-33(42)25-44-35-19-15-27-21-31(17-13-29(27)23-35)41(39-11-7-5-9-37(39)38-10-6-8-12-40(38)41)32-18-14-30-24-36(20-16-28(30)22-32)45-26-34(43)4-2/h5-24,33-34,42-43H,3-4,25-26H2,1-2H3
InChIKeyRDPPEHVVPDRFDP-UHFFFAOYSA-N
XLogP8.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.75
LogP ≤ 58.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
CID 139725546
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
1-[6-[9-[6-[3-[(4-anilino-6-methylsulfanyl-1,3,5-triazin-2-yl)sulfanyl]-2-hydroxypropoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 140963999
[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
CID 160805609
3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol
CID 71003810
1-[4-[9-[4-(2-sulfanylbutoxy)phenyl]fluoren-9-yl]phenoxy]butane-2-thiol
CID 161470693
2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol
CID 71003793
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
(2S)-1-[4-[9-[4-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]fluoren-9-yl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 98308819
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
ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 157218436

Frequently Asked Questions

What is the IUPAC name of 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol?
The IUPAC name of 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol (CID 146486948) is 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol.
What is the SMILES notation for 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol?
The canonical SMILES for 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol is CCC(O)COc1ccc2cc(C3(c4ccc5cc(OCC(O)CC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol?
The InChIKey is RDPPEHVVPDRFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38O4/c1-3-33(42)25-44-35-19-15-27-21-31(17-13-29(27)23-35)41(39-11-7-5-9-37(39)38-10-6-8-12-40(38)41)32-18-14-30-24-36(20-16-28(30)22-32)45-26-34(43)4-2/h5-24,33-34,42-43H,3-4,25-26H2,1-2H3.
What are the key properties of 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol?
1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol has a molecular weight of 594.75 g/mol, XLogP of 8.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol is sourced from PubChem (CID 146486948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).