3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine

C26H23N — CID 174639750

IUPAC3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine
SMILESCc1ccc2c(c1)-c1ccc3c(c1CC2/C=C/c1cccnc1)CCC=C3
InChIInChI=1S/C26H23N/c1-18-8-12-23-21(10-9-19-5-4-14-27-17-19)16-26-22-7-3-2-6-20(22)11-13-24(26)25(23)15-18/h2,4-6,8-15,17,21H,3,7,16H2,1H3/b10-9+
InChIKeyFLHBWWKRSZTIEE-MDZDMXLPSA-N
MW349.48 g/mol
LogP6.37
Rot. Bonds2

About 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine

3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine (PubChem CID 174639750) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine
PubChem CID174639750
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine
SMILESCc1ccc2c(c1)-c1ccc3c(c1CC2/C=C/c1cccnc1)CCC=C3
InChIInChI=1S/C26H23N/c1-18-8-12-23-21(10-9-19-5-4-14-27-17-19)16-26-22-7-3-2-6-20(22)11-13-24(26)25(23)15-18/h2,4-6,8-15,17,21H,3,7,16H2,1H3/b10-9+
InChIKeyFLHBWWKRSZTIEE-MDZDMXLPSA-N
XLogP6.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine
CID 174639624
9-methyl-3,4,5,6-tetrahydrochrysene
CID 144659950
1-(3-methylphenyl)-7,8-dihydroisoquinoline
CID 71147862
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one
CID 131238216
2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-methyl-5-[(Z)-2-(9,10,11,12-tetrahydrochrysen-1-yl)ethenyl]pyridine
CID 174663537
9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene
CID 174639640
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
CID 69086206
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
3-[(1E,3E)-penta-1,3-dienyl]pyridine
CID 173222237

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine (CID 174639750) is 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine is Cc1ccc2c(c1)-c1ccc3c(c1CC2/C=C/c1cccnc1)CCC=C3.
What is the InChIKey of 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine?
The InChIKey is FLHBWWKRSZTIEE-MDZDMXLPSA-N. The full InChI is InChI=1S/C26H23N/c1-18-8-12-23-21(10-9-19-5-4-14-27-17-19)16-26-22-7-3-2-6-20(22)11-13-24(26)25(23)15-18/h2,4-6,8-15,17,21H,3,7,16H2,1H3/b10-9+.
What are the key properties of 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine?
3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine has a molecular weight of 349.48 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethenyl]pyridine is sourced from PubChem (CID 174639750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).