2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine

C27H34N2 — CID 58827661

IUPAC2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine
SMILESCc1nc(-c2cc(-c3nc(C)c(C)c(C)c3C)c(C)c(C)c2C)c(C)c(C)c1C
InChIInChI=1S/C27H34N2/c1-13-16(4)22(10)28-26(20(13)8)24-12-25(19(7)15(3)18(24)6)27-21(9)14(2)17(5)23(11)29-27/h12H,1-11H3
InChIKeyCLUQSGTVXKQKPD-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.20
Rot. Bonds2

About 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine

2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine (PubChem CID 58827661) has the molecular formula C27H34N2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine
PubChem CID58827661
Molecular FormulaC27H34N2
Molecular Weight386.58 g/mol
Exact Mass386.27
IUPAC Name2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine
SMILESCc1nc(-c2cc(-c3nc(C)c(C)c(C)c3C)c(C)c(C)c2C)c(C)c(C)c1C
InChIInChI=1S/C27H34N2/c1-13-16(4)22(10)28-26(20(13)8)24-12-25(19(7)15(3)18(24)6)27-21(9)14(2)17(5)23(11)29-27/h12H,1-11H3
InChIKeyCLUQSGTVXKQKPD-UHFFFAOYSA-N
XLogP7.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine?
The IUPAC name of 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine (CID 58827661) is 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine?
The canonical SMILES for 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine is Cc1nc(-c2cc(-c3nc(C)c(C)c(C)c3C)c(C)c(C)c2C)c(C)c(C)c1C.
What is the InChIKey of 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine?
The InChIKey is CLUQSGTVXKQKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2/c1-13-16(4)22(10)28-26(20(13)8)24-12-25(19(7)15(3)18(24)6)27-21(9)14(2)17(5)23(11)29-27/h12H,1-11H3.
What are the key properties of 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine?
2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine has a molecular weight of 386.58 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-[2,3,4-trimethyl-5-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]pyridine is sourced from PubChem (CID 58827661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).