bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)

C46H36N4O6 — CID 139145327

IUPACbis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)
SMILESC(=C/c1ccncc1)\c1ccncc1.C(=C/c1ccncc1)\c1ccncc1.O=C(O)c1ccc2cc(O)ccc2c1.O=C(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/2C12H10N2.2C11H8O3/c2*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h2*1-10H;2*1-6,12H,(H,13,14)/b2*2-1+;;
InChIKeyGHXOQTOPJVBLKS-WOGKQDBSSA-N
MW740.82 g/mol
LogP9.78
Rot. Bonds6

About bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)

bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine) (PubChem CID 139145327) has the molecular formula C46H36N4O6 and a molecular weight of 740.82 g/mol. Its IUPAC name is bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine).

Molecular Properties

Compound Namebis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)
PubChem CID139145327
Molecular FormulaC46H36N4O6
Molecular Weight740.82 g/mol
Exact Mass740.26
IUPAC Namebis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)
SMILESC(=C/c1ccncc1)\c1ccncc1.C(=C/c1ccncc1)\c1ccncc1.O=C(O)c1ccc2cc(O)ccc2c1.O=C(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/2C12H10N2.2C11H8O3/c2*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h2*1-10H;2*1-6,12H,(H,13,14)/b2*2-1+;;
InChIKeyGHXOQTOPJVBLKS-WOGKQDBSSA-N
XLogP9.78
TPSA166.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.82
LogP ≤ 59.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 122189985
(E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-4-ylprop-2-en-1-one
CID 122189986
10,10-Bis[(2-fluoro-4-pyridinyl)methyl]-3-hydroxyanthracen-9-one
CID 19606090
10,10-Bis[(2-fluoro-4-pyridinyl)methyl]-2-hydroxyanthracen-9-one
CID 85715286
Bis[2-[1-hydroxy-6-(trifluoromethyl)naphthalen-2-yl]pyridin-4-yl]methanone
CID 136458912
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)
CID 71401574
Bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine
CID 71427966
2,6-Diphenylterephthalic acid;4-pyridin-4-ylpyridine
CID 86226986
Octakis(anthracene-9-carboxylate);tetrakis(nickel(2+));tetrakis(pyridine)
CID 139044756
5-(3,5-Dicarboxyphenyl)benzene-1,3-dicarboxylic acid;bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139051405
4-[1-(4-Hydroxyphenyl)-2,2-bis(4-pyridin-4-ylphenyl)ethenyl]phenol
CID 139051954
Pamoic acid . 2pyridine
CID 139054891

Frequently Asked Questions

What is the IUPAC name of bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)?
The IUPAC name of bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine) (CID 139145327) is bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine).
What is the SMILES notation for bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)?
The canonical SMILES for bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine) is C(=C/c1ccncc1)\c1ccncc1.C(=C/c1ccncc1)\c1ccncc1.O=C(O)c1ccc2cc(O)ccc2c1.O=C(O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)?
The InChIKey is GHXOQTOPJVBLKS-WOGKQDBSSA-N. The full InChI is InChI=1S/2C12H10N2.2C11H8O3/c2*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h2*1-10H;2*1-6,12H,(H,13,14)/b2*2-1+;;.
What are the key properties of bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)?
bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine) has a molecular weight of 740.82 g/mol, XLogP of 9.78, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-hydroxynaphthalene-2-carboxylic acid);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine) is sourced from PubChem (CID 139145327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).