7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol

C40H28O5 — CID 144615548

IUPAC7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccc(-c3c(O)ccc4ccc(-c5c(O)ccc6ccc(Oc7ccc8c(c7)CC(O)C=C8)cc56)cc34)cc2c1
InChIInChI=1S/C40H28O5/c41-31-11-5-23-1-3-27(17-29(23)18-31)39-35-21-28(4-2-25(35)9-15-37(39)43)40-36-22-34(14-8-26(36)10-16-38(40)44)45-33-13-7-24-6-12-32(42)19-30(24)20-33/h1-18,20-22,32,41-44H,19H2
InChIKeyPJAPXCDKCOWZSA-UHFFFAOYSA-N
MW588.66 g/mol
LogP9.32
Rot. Bonds4

About 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol

7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol (PubChem CID 144615548) has the molecular formula C40H28O5 and a molecular weight of 588.66 g/mol. Its IUPAC name is 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol
PubChem CID144615548
Molecular FormulaC40H28O5
Molecular Weight588.66 g/mol
Exact Mass588.19
IUPAC Name7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccc(-c3c(O)ccc4ccc(-c5c(O)ccc6ccc(Oc7ccc8c(c7)CC(O)C=C8)cc56)cc34)cc2c1
InChIInChI=1S/C40H28O5/c41-31-11-5-23-1-3-27(17-29(23)18-31)39-35-21-28(4-2-25(35)9-15-37(39)43)40-36-22-34(14-8-26(36)10-16-38(40)44)45-33-13-7-24-6-12-32(42)19-30(24)20-33/h1-18,20-22,32,41-44H,19H2
InChIKeyPJAPXCDKCOWZSA-UHFFFAOYSA-N
XLogP9.32
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.66
LogP ≤ 59.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxyphenyl)-7-naphthalen-2-yloxynaphthalen-2-ol
CID 143531986
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
(2R)-1,2-dihydronaphthalen-2-ol
CID 12963098
7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol
CID 143532000
1-phenylnaphthalene-2,7-diol
CID 118054370
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol
CID 157063536
1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
CID 121311364
1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
CID 146469077
3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol
CID 140511722
ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)
CID 158876456
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol?
The IUPAC name of 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol (CID 144615548) is 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol.
What is the SMILES notation for 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol?
The canonical SMILES for 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol is Oc1ccc2ccc(-c3c(O)ccc4ccc(-c5c(O)ccc6ccc(Oc7ccc8c(c7)CC(O)C=C8)cc56)cc34)cc2c1.
What is the InChIKey of 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol?
The InChIKey is PJAPXCDKCOWZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28O5/c41-31-11-5-23-1-3-27(17-29(23)18-31)39-35-21-28(4-2-25(35)9-15-37(39)43)40-36-22-34(14-8-26(36)10-16-38(40)44)45-33-13-7-24-6-12-32(42)19-30(24)20-33/h1-18,20-22,32,41-44H,19H2.
What are the key properties of 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol?
7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol has a molecular weight of 588.66 g/mol, XLogP of 9.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-7-[(7-hydroxy-7,8-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]-1-(7-hydroxynaphthalen-2-yl)naphthalen-2-ol is sourced from PubChem (CID 144615548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).