4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine

C25H20N2O — CID 15678632

IUPAC4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine
SMILESc1ccc2c(c1)Oc1ccccc1C2(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C25H20N2O/c1-3-7-23-21(5-1)25(17-19-9-13-26-14-10-19,18-20-11-15-27-16-12-20)22-6-2-4-8-24(22)28-23/h1-16H,17-18H2
InChIKeyCWQOPCOUVYERJC-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.35
Rot. Bonds4

About 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine

4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine (PubChem CID 15678632) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine
PubChem CID15678632
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine
SMILESc1ccc2c(c1)Oc1ccccc1C2(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C25H20N2O/c1-3-7-23-21(5-1)25(17-19-9-13-26-14-10-19,18-20-11-15-27-16-12-20)22-6-2-4-8-24(22)28-23/h1-16H,17-18H2
InChIKeyCWQOPCOUVYERJC-UHFFFAOYSA-N
XLogP5.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
CID 656732
4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine
CID 134967234
2-[9-[(2-fluoro-4-pyridinyl)methyl]-9-(pyridin-4-ylmethyl)xanthen-4-yl]-1H-azepine
CID 174450136
2-fluoro-4-[[9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 19606110
3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine
CID 19027123
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;chloride;hydrate
CID 45114239
4-[9-(pyridin-4-ylmethyl)fluoren-9-yl]butanenitrile;hydrate;hydrochloride
CID 21465320
5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine
CID 10546928
8-prop-2-ynyl-8-(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 54497503
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
1-oxido-1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-1-ium-2-one
CID 54505898
4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine
CID 19606083

Frequently Asked Questions

What is the IUPAC name of 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine?
The IUPAC name of 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine (CID 15678632) is 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine.
What is the SMILES notation for 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine?
The canonical SMILES for 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine is c1ccc2c(c1)Oc1ccccc1C2(Cc1ccncc1)Cc1ccncc1.
What is the InChIKey of 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine?
The InChIKey is CWQOPCOUVYERJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-3-7-23-21(5-1)25(17-19-9-13-26-14-10-19,18-20-11-15-27-16-12-20)22-6-2-4-8-24(22)28-23/h1-16H,17-18H2.
What are the key properties of 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine?
4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine has a molecular weight of 364.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9-(pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine is sourced from PubChem (CID 15678632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).