1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene

C23H23N — CID 175274731

IUPAC1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene
SMILESC1=CCNC=C1.C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3
InChIInChI=1S/C18H16.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/h1,3,5-7,9-10,12H,2,4,8,11H2;1-4,6H,5H2
InChIKeyNZEYLUCXGFQHKR-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.09
Rot. Bonds

About 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene

1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene (PubChem CID 175274731) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene
PubChem CID175274731
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene
SMILESC1=CCNC=C1.C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3
InChIInChI=1S/C18H16.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/h1,3,5-7,9-10,12H,2,4,8,11H2;1-4,6H,5H2
InChIKeyNZEYLUCXGFQHKR-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174827036
7,8-dichloro-2,3,4,5-tetrahydrochrysene
CID 175280785
1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene
CID 174367216
4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
CID 175242525
bis(2,3,4,5-tetrahydrochrysen-1-yl) carbonate
CID 174520106
benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene
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tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate
CID 174398352

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene?
The IUPAC name of 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene (CID 175274731) is 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene is C1=CCNC=C1.C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3.
What is the InChIKey of 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene?
The InChIKey is NZEYLUCXGFQHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.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/h1,3,5-7,9-10,12H,2,4,8,11H2;1-4,6H,5H2.
What are the key properties of 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene?
1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene has a molecular weight of 313.44 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 175274731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).