3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine

C25H23N — CID 174691452

IUPAC3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine
SMILESCC1(C)CC(c2cccnc2)Cc2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C25H23N/c1-25(2)15-20(19-7-5-13-26-16-19)14-18-10-11-22-21-8-4-3-6-17(21)9-12-23(22)24(18)25/h3-13,16,20H,14-15H2,1-2H3
InChIKeyYCAWKBXZXOSNMB-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.40
Rot. Bonds1

About 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine

3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine (PubChem CID 174691452) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine
PubChem CID174691452
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine
SMILESCC1(C)CC(c2cccnc2)Cc2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C25H23N/c1-25(2)15-20(19-7-5-13-26-16-19)14-18-10-11-22-21-8-4-3-6-17(21)9-12-23(22)24(18)25/h3-13,16,20H,14-15H2,1-2H3
InChIKeyYCAWKBXZXOSNMB-UHFFFAOYSA-N
XLogP6.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.40
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

N-[2-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)phenyl]-2-fluorobenzamide;quinoline-6-carboxylic acid
CID 174682912
2-phenyl-1,2,3,4-tetrahydrochrysene
CID 174844260
isoquinoline;2-methyl-4-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
CID 174462154
3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene
CID 175278468
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyrimidine
CID 174258210
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
CID 174836526
2,4-dimethyl-6-(1,2,3,4-tetrahydrochrysen-2-yl)pyrimidine;isoquinoline
CID 174452403
1-fluoro-4,4-dimethyl-2,3-dihydro-1H-chrysene
CID 174915902
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680
4-(7-chloro-1,2,3,4-tetrahydrochrysen-2-yl)pyridine;isoquinoline
CID 174474696
1,6-naphthyridine;1,2,3,4-tetrahydrochrysene
CID 174401124

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine?
The IUPAC name of 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine (CID 174691452) is 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine.
What is the SMILES notation for 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine?
The canonical SMILES for 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine is CC1(C)CC(c2cccnc2)Cc2ccc3c(ccc4ccccc43)c21.
What is the InChIKey of 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine?
The InChIKey is YCAWKBXZXOSNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-25(2)15-20(19-7-5-13-26-16-19)14-18-10-11-22-21-8-4-3-6-17(21)9-12-23(22)24(18)25/h3-13,16,20H,14-15H2,1-2H3.
What are the key properties of 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine?
3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine has a molecular weight of 337.47 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,3-dihydro-1H-chrysen-2-yl)pyridine is sourced from PubChem (CID 174691452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).