2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine

C23H19N — CID 174836526

IUPAC2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
SMILESc1ccc(C2CCc3c(ccc4c3ccc3ccccc34)C2)nc1
InChIInChI=1S/C23H19N/c1-2-6-19-16(5-1)8-12-22-20-11-10-18(23-7-3-4-14-24-23)15-17(20)9-13-21(19)22/h1-9,12-14,18H,10-11,15H2
InChIKeyPMXRCNLALUFVMD-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.66
Rot. Bonds1

About 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine

2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine (PubChem CID 174836526) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
PubChem CID174836526
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
SMILESc1ccc(C2CCc3c(ccc4c3ccc3ccccc34)C2)nc1
InChIInChI=1S/C23H19N/c1-2-6-19-16(5-1)8-12-22-20-11-10-18(23-7-3-4-14-24-23)15-17(20)9-13-21(19)22/h1-9,12-14,18H,10-11,15H2
InChIKeyPMXRCNLALUFVMD-UHFFFAOYSA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Benzo(F)Quinoline
CID 6796
3-Methylisoquinoline
CID 14306
3-Benzhydrylpyridine
CID 77251
Phenanthridine
CID 9189
Benzo(h)quinoline
CID 9191
4-Benzhydrylpyridine
CID 77252
3-Phenylisoquinoline
CID 609614
1-Phenylisoquinoline
CID 137882
Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
CID 6604866

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine?
The IUPAC name of 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine (CID 174836526) is 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine.
What is the SMILES notation for 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine?
The canonical SMILES for 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine is c1ccc(C2CCc3c(ccc4c3ccc3ccccc34)C2)nc1.
What is the InChIKey of 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine?
The InChIKey is PMXRCNLALUFVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-2-6-19-16(5-1)8-12-22-20-11-10-18(23-7-3-4-14-24-23)15-17(20)9-13-21(19)22/h1-9,12-14,18H,10-11,15H2.
What are the key properties of 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine?
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine has a molecular weight of 309.41 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine is sourced from PubChem (CID 174836526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).