2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine

C26H29N — CID 174452743

IUPAC2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine
SMILESC1=c2ccc3c(c2CCC1)CC=c1ccccc1=3.CC1=CC=CC(C)(C)N1
InChIInChI=1S/C18H16.C8H13N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-7-5-4-6-8(2,3)9-7/h1,3,5-7,9-10,12H,2,4,8,11H2;4-6,9H,1-3H3
InChIKeyBSUTVYVTEBGEII-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.26
Rot. Bonds

About 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine

2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine (PubChem CID 174452743) has the molecular formula C26H29N and a molecular weight of 355.53 g/mol. Its IUPAC name is 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine.

Molecular Properties

Compound Name2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine
PubChem CID174452743
Molecular FormulaC26H29N
Molecular Weight355.53 g/mol
Exact Mass355.23
IUPAC Name2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine
SMILESC1=c2ccc3c(c2CCC1)CC=c1ccccc1=3.CC1=CC=CC(C)(C)N1
InChIInChI=1S/C18H16.C8H13N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-7-5-4-6-8(2,3)9-7/h1,3,5-7,9-10,12H,2,4,8,11H2;4-6,9H,1-3H3
InChIKeyBSUTVYVTEBGEII-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine?
The IUPAC name of 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine (CID 174452743) is 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine.
What is the SMILES notation for 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine?
The canonical SMILES for 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine is C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3.CC1=CC=CC(C)(C)N1.
What is the InChIKey of 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine?
The InChIKey is BSUTVYVTEBGEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C8H13N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-7-5-4-6-8(2,3)9-7/h1,3,5-7,9-10,12H,2,4,8,11H2;4-6,9H,1-3H3.
What are the key properties of 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine?
2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine has a molecular weight of 355.53 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine is sourced from PubChem (CID 174452743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).