6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one

C33H24O2 — CID 123261950

IUPAC6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(C3(c4ccc5c(O)cccc5c4)c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C33H24O2/c34-31-13-5-7-21-19-23(15-17-25(21)31)33(24-16-18-26-22(20-24)8-6-14-32(26)35)29-11-3-1-9-27(29)28-10-2-4-12-30(28)33/h1-5,7,9-13,15-20,34H,6,8,14H2
InChIKeyVSZWQZXQLMOIFQ-UHFFFAOYSA-N
MW452.55 g/mol
LogP7.43
Rot. Bonds2

About 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one

6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 123261950) has the molecular formula C33H24O2 and a molecular weight of 452.55 g/mol. Its IUPAC name is 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID123261950
Molecular FormulaC33H24O2
Molecular Weight452.55 g/mol
Exact Mass452.18
IUPAC Name6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(C3(c4ccc5c(O)cccc5c4)c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C33H24O2/c34-31-13-5-7-21-19-23(15-17-25(21)31)33(24-16-18-26-22(20-24)8-6-14-32(26)35)29-11-3-1-9-27(29)28-10-2-4-12-30(28)33/h1-5,7,9-13,15-20,34H,6,8,14H2
InChIKeyVSZWQZXQLMOIFQ-UHFFFAOYSA-N
XLogP7.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216
anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
5-phenyl-3,4-dihydro-2H-anthracen-1-one
CID 174638646
3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol
CID 69231580
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 105485387
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 161094259
2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 11959102
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
CID 126481591
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614

Frequently Asked Questions

What is the IUPAC name of 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one (CID 123261950) is 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(C3(c4ccc5c(O)cccc5c4)c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VSZWQZXQLMOIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O2/c34-31-13-5-7-21-19-23(15-17-25(21)31)33(24-16-18-26-22(20-24)8-6-14-32(26)35)29-11-3-1-9-27(29)28-10-2-4-12-30(28)33/h1-5,7,9-13,15-20,34H,6,8,14H2.
What are the key properties of 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one?
6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 452.55 g/mol, XLogP of 7.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 123261950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).