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

C34H32N2 — CID 174663537

IUPAC2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-methyl-5-[(Z)-2-(9,10,11,12-tetrahydrochrysen-1-yl)ethenyl]pyridine
SMILESC1=CC2=CC=C(CC2)N1.Cc1ccc(/C=C\c2cccc3c2CCc2c-3ccc3c2CCC=C3)cn1
InChIInChI=1S/C26H23N.C8H9N/c1-18-9-10-19(17-27-18)11-12-21-6-4-8-24-23(21)15-16-25-22-7-3-2-5-20(22)13-14-26(24)25;1-3-8-4-2-7(1)5-6-9-8/h2,4-6,8-14,17H,3,7,15-16H2,1H3;1,3,5-6,9H,2,4H2/b12-11-;
InChIKeyUEJORQFFOKIQML-AFEZEDKISA-N
MW468.64 g/mol
LogP7.99
Rot. Bonds2

About 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

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 (PubChem CID 174663537) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-methyl-5-[(Z)-2-(9,10,11,12-tetrahydrochrysen-1-yl)ethenyl]pyridine
PubChem CID174663537
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC Name2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-methyl-5-[(Z)-2-(9,10,11,12-tetrahydrochrysen-1-yl)ethenyl]pyridine
SMILESC1=CC2=CC=C(CC2)N1.Cc1ccc(/C=C\c2cccc3c2CCc2c-3ccc3c2CCC=C3)cn1
InChIInChI=1S/C26H23N.C8H9N/c1-18-9-10-19(17-27-18)11-12-21-6-4-8-24-23(21)15-16-25-22-7-3-2-5-20(22)13-14-26(24)25;1-3-8-4-2-7(1)5-6-9-8/h2,4-6,8-14,17H,3,7,15-16H2,1H3;1,3,5-6,9H,2,4H2/b12-11-;
InChIKeyUEJORQFFOKIQML-AFEZEDKISA-N
XLogP7.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2=CC=C(CC2)N1.Cc1ccc(/C=C\c2cccc3c2CCc2c-3ccc3c2CCC=C3)cn1.
What is the InChIKey of 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?
The InChIKey is UEJORQFFOKIQML-AFEZEDKISA-N. The full InChI is InChI=1S/C26H23N.C8H9N/c1-18-9-10-19(17-27-18)11-12-21-6-4-8-24-23(21)15-16-25-22-7-3-2-5-20(22)13-14-26(24)25;1-3-8-4-2-7(1)5-6-9-8/h2,4-6,8-14,17H,3,7,15-16H2,1H3;1,3,5-6,9H,2,4H2/b12-11-;.
What are the key properties of 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?
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 has a molecular weight of 468.64 g/mol, XLogP of 7.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174663537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).