2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine

C32H30N2 — CID 174626361

IUPAC2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine
SMILESC1=CC2=CC=C(CC2)N1.C1=Cc2ccc3c(c2CC1)CC(Cc1ccncc1)c1ccccc1-3
InChIInChI=1S/C24H21N.C8H9N/c1-2-6-20-18(5-1)9-10-23-22-8-4-3-7-21(22)19(16-24(20)23)15-17-11-13-25-14-12-17;1-3-8-4-2-7(1)5-6-9-8/h1,3-5,7-14,19H,2,6,15-16H2;1,3,5-6,9H,2,4H2
InChIKeyTXACZANLZDNXOU-UHFFFAOYSA-N
MW442.61 g/mol
LogP7.30
Rot. Bonds2

About 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine

2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine (PubChem CID 174626361) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine.

Molecular Properties

Compound Name2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine
PubChem CID174626361
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine
SMILESC1=CC2=CC=C(CC2)N1.C1=Cc2ccc3c(c2CC1)CC(Cc1ccncc1)c1ccccc1-3
InChIInChI=1S/C24H21N.C8H9N/c1-2-6-20-18(5-1)9-10-23-22-8-4-3-7-21(22)19(16-24(20)23)15-17-11-13-25-14-12-17;1-3-8-4-2-7(1)5-6-9-8/h1,3-5,7-14,19H,2,6,15-16H2;1,3,5-6,9H,2,4H2
InChIKeyTXACZANLZDNXOU-UHFFFAOYSA-N
XLogP7.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine?
The IUPAC name of 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine (CID 174626361) is 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine.
What is the SMILES notation for 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine?
The canonical SMILES for 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine is C1=CC2=CC=C(CC2)N1.C1=Cc2ccc3c(c2CC1)CC(Cc1ccncc1)c1ccccc1-3.
What is the InChIKey of 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine?
The InChIKey is TXACZANLZDNXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N.C8H9N/c1-2-6-20-18(5-1)9-10-23-22-8-4-3-7-21(22)19(16-24(20)23)15-17-11-13-25-14-12-17;1-3-8-4-2-7(1)5-6-9-8/h1,3-5,7-14,19H,2,6,15-16H2;1,3,5-6,9H,2,4H2.
What are the key properties of 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine?
2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine has a molecular weight of 442.61 g/mol, XLogP of 7.30, 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;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine is sourced from PubChem (CID 174626361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).