1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline

C32H22N2O2 — CID 139056035

IUPAC1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C20H14O2.C12H8N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-12,21-22H;1-8H
InChIKeyQUAGFGXZUZWZOX-UHFFFAOYSA-N
MW466.54 g/mol
LogP7.85
Rot. Bonds1

About 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline (PubChem CID 139056035) has the molecular formula C32H22N2O2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline.

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline
PubChem CID139056035
Molecular FormulaC32H22N2O2
Molecular Weight466.54 g/mol
Exact Mass466.17
IUPAC Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C20H14O2.C12H8N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-12,21-22H;1-8H
InChIKeyQUAGFGXZUZWZOX-UHFFFAOYSA-N
XLogP7.85
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
4-[5-(Piperidin-3-ylamino)isoquinolin-7-yl]phenol
CID 156018227
4-Methyl-2-[(quinolin-8-ylamino)methyl]phenol
CID 929817
Dibenzo[f,h]quinolin-7-ol
CID 219962
5-({Benzyl[(8-hydroxy-5-quinolinyl)methyl]amino}methyl)-8-quinolinol
CID 25015251
5-[[(8-Hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol
CID 25268549
7-(Phenyl(8-quinolinylamino)methyl)-8-quinolinol
CID 256758
1-(Quinolin-3-ylaminomethyl)-naphthalen-2-ol
CID 951184
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
5-[[(8-hydroxyquinolin-5-yl)methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]quinolin-8-ol
CID 25268908
2-Hydroxy-1-naphthaldehyde 8-quinolinylhydrazone
CID 135425067

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline (CID 139056035) is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline.
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline is Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline?
The InChIKey is QUAGFGXZUZWZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.C12H8N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-12,21-22H;1-8H.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline?
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline has a molecular weight of 466.54 g/mol, XLogP of 7.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline is sourced from PubChem (CID 139056035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).