4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine

C24H21N — CID 174607280

IUPAC4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine
SMILESCC1CCCc2c1ccc1c2ccc2c(-c3ccncc3)cccc21
InChIInChI=1S/C24H21N/c1-16-4-2-6-20-18(16)8-9-24-21-7-3-5-19(17-12-14-25-15-13-17)22(21)10-11-23(20)24/h3,5,7-16H,2,4,6H2,1H3
InChIKeyRYEYTLKKIGMSFT-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.49
Rot. Bonds1

About 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine

4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine (PubChem CID 174607280) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine.

Molecular Properties

Compound Name4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine
PubChem CID174607280
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine
SMILESCC1CCCc2c1ccc1c2ccc2c(-c3ccncc3)cccc21
InChIInChI=1S/C24H21N/c1-16-4-2-6-20-18(16)8-9-24-21-7-3-5-19(17-12-14-25-15-13-17)22(21)10-11-23(20)24/h3,5,7-16H,2,4,6H2,1H3
InChIKeyRYEYTLKKIGMSFT-UHFFFAOYSA-N
XLogP6.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.49
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

1-methyl-5-phenyl-1,2,3,4-tetrahydronaphthalene
CID 91202286
1-methyl-1,2,3,4-tetrahydrochrysene;quinoline
CID 174893501
1-(6-phenyl-1,2,3,4-tetrahydrochrysen-1-yl)ethanone;pyrazine
CID 174421097
(4R)-4,7-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174401157
benzoyl benzoate;1-methyl-1,2,3,4-tetrahydrochrysene
CID 174434035
naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine
CID 174508021
7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174412192
5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 57495738
1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone
CID 101076430
isoquinoline;7-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174578990
dioctyl benzene-1,2-dicarboxylate;1-methyl-1,2,3,4-tetrahydrochrysene
CID 174870253
2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 167580187

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine?
The IUPAC name of 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine (CID 174607280) is 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine.
What is the SMILES notation for 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine?
The canonical SMILES for 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine is CC1CCCc2c1ccc1c2ccc2c(-c3ccncc3)cccc21.
What is the InChIKey of 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine?
The InChIKey is RYEYTLKKIGMSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-16-4-2-6-20-18(16)8-9-24-21-7-3-5-19(17-12-14-25-15-13-17)22(21)10-11-23(20)24/h3,5,7-16H,2,4,6H2,1H3.
What are the key properties of 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine?
4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine has a molecular weight of 323.44 g/mol, XLogP of 6.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine is sourced from PubChem (CID 174607280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).