2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine

C27H31N — CID 129013755

IUPAC2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(CCc3nc(C)c(C)c(C)c3C)ccc1-2
InChIInChI=1S/C27H31N/c1-16-8-11-22-23-12-9-21(15-25(23)27(6,7)24(22)14-16)10-13-26-19(4)17(2)18(3)20(5)28-26/h8-9,11-12,14-15H,10,13H2,1-7H3
InChIKeyADJPJQJRZZWSLD-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.72
Rot. Bonds3

About 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine

2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine (PubChem CID 129013755) has the molecular formula C27H31N and a molecular weight of 369.55 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine
PubChem CID129013755
Molecular FormulaC27H31N
Molecular Weight369.55 g/mol
Exact Mass369.25
IUPAC Name2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(CCc3nc(C)c(C)c(C)c3C)ccc1-2
InChIInChI=1S/C27H31N/c1-16-8-11-22-23-12-9-21(15-25(23)27(6,7)24(22)14-16)10-13-26-19(4)17(2)18(3)20(5)28-26/h8-9,11-12,14-15H,10,13H2,1-7H3
InChIKeyADJPJQJRZZWSLD-UHFFFAOYSA-N
XLogP6.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine?
The IUPAC name of 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine (CID 129013755) is 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine?
The canonical SMILES for 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine is Cc1ccc2c(c1)C(C)(C)c1cc(CCc3nc(C)c(C)c(C)c3C)ccc1-2.
What is the InChIKey of 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine?
The InChIKey is ADJPJQJRZZWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N/c1-16-8-11-22-23-12-9-21(15-25(23)27(6,7)24(22)14-16)10-13-26-19(4)17(2)18(3)20(5)28-26/h8-9,11-12,14-15H,10,13H2,1-7H3.
What are the key properties of 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine?
2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine has a molecular weight of 369.55 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-[2-(7,9,9-trimethylfluoren-2-yl)ethyl]pyridine is sourced from PubChem (CID 129013755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).