1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene

C23H25N — CID 174827036

IUPAC1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene
SMILESC1=CCNC=C1.C1=c2ccc3c4c(ccc3c2=CCC1)CCCC4
InChIInChI=1S/C18H18.C5H7N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1/h5,7,9-12H,1-4,6,8H2;1-4,6H,5H2
InChIKeyJKQMQWMIOZVBJL-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.73
Rot. Bonds

About 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene

1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene (PubChem CID 174827036) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene.

Molecular Properties

Compound Name1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene
PubChem CID174827036
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene
SMILESC1=CCNC=C1.C1=c2ccc3c4c(ccc3c2=CCC1)CCCC4
InChIInChI=1S/C18H18.C5H7N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1/h5,7,9-12H,1-4,6,8H2;1-4,6H,5H2
InChIKeyJKQMQWMIOZVBJL-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene?
The IUPAC name of 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene (CID 174827036) is 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene.
What is the SMILES notation for 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene?
The canonical SMILES for 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene is C1=CCNC=C1.C1=c2ccc3c4c(ccc3c2=CCC1)CCCC4.
What is the InChIKey of 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene?
The InChIKey is JKQMQWMIOZVBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.C5H7N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1/h5,7,9-12H,1-4,6,8H2;1-4,6H,5H2.
What are the key properties of 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene?
1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene has a molecular weight of 315.46 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine;1,2,3,4,8,9-hexahydrochrysene is sourced from PubChem (CID 174827036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).