2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine

C23H21NO — CID 118155074

IUPAC2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine
SMILESCC12CCC(C)(O1)c1cc(-c3ccc(-c4ccccc4)cn3)ccc12
InChIInChI=1S/C23H21NO/c1-22-12-13-23(2,25-22)20-14-17(8-10-19(20)22)21-11-9-18(15-24-21)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyWRBRHSIRXLFRKY-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.67
Rot. Bonds2

About 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine

2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine (PubChem CID 118155074) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine.

Molecular Properties

Compound Name2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine
PubChem CID118155074
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine
SMILESCC12CCC(C)(O1)c1cc(-c3ccc(-c4ccccc4)cn3)ccc12
InChIInChI=1S/C23H21NO/c1-22-12-13-23(2,25-22)20-14-17(8-10-19(20)22)21-11-9-18(15-24-21)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyWRBRHSIRXLFRKY-UHFFFAOYSA-N
XLogP5.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
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2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250630
9,9-dimethyl-2,7-bis(6-phenyl-3-pyridinyl)-10H-acridine
CID 141492915
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CID 130376269
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5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
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4-(5-phenyl-2-pyridinyl)aniline
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2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine?
The IUPAC name of 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine (CID 118155074) is 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine.
What is the SMILES notation for 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine?
The canonical SMILES for 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine is CC12CCC(C)(O1)c1cc(-c3ccc(-c4ccccc4)cn3)ccc12.
What is the InChIKey of 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine?
The InChIKey is WRBRHSIRXLFRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-22-12-13-23(2,25-22)20-14-17(8-10-19(20)22)21-11-9-18(15-24-21)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine?
2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine has a molecular weight of 327.43 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine is sourced from PubChem (CID 118155074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).