2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine

C33H34N4 — CID 101475098

IUPAC2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine
SMILESCc1cc(C2=C(c3cc(C)nc(C)c3)C(c3cc(C)nc(C)c3)=C(c3cc(C)nc(C)c3)C2)cc(C)n1
InChIInChI=1S/C33H34N4/c1-18-9-26(10-19(2)34-18)30-17-31(27-11-20(3)35-21(4)12-27)33(29-15-24(7)37-25(8)16-29)32(30)28-13-22(5)36-23(6)14-28/h9-16H,17H2,1-8H3
InChIKeyKOWYLWQAMUNRQU-UHFFFAOYSA-N
MW486.66 g/mol
LogP7.66
Rot. Bonds4

About 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine

2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine (PubChem CID 101475098) has the molecular formula C33H34N4 and a molecular weight of 486.66 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine
PubChem CID101475098
Molecular FormulaC33H34N4
Molecular Weight486.66 g/mol
Exact Mass486.28
IUPAC Name2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine
SMILESCc1cc(C2=C(c3cc(C)nc(C)c3)C(c3cc(C)nc(C)c3)=C(c3cc(C)nc(C)c3)C2)cc(C)n1
InChIInChI=1S/C33H34N4/c1-18-9-26(10-19(2)34-18)30-17-31(27-11-20(3)35-21(4)12-27)33(29-15-24(7)37-25(8)16-29)32(30)28-13-22(5)36-23(6)14-28/h9-16H,17H2,1-8H3
InChIKeyKOWYLWQAMUNRQU-UHFFFAOYSA-N
XLogP7.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine with MolForge

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Related Compounds

2,6-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyridine
CID 157163844
2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134618418
4-[3-(2-amino-6-methyl-4-pyridinyl)-5-(2,6-diamino-4-pyridinyl)phenyl]pyridine-2,6-diamine
CID 159767506
sulfane;2,4,6-trimethylpyridine
CID 69294176
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
CID 136773443
(4,6-dimethylpyrimidin-2-yl)phosphane
CID 177203756
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
CID 107502259
1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium
CID 59922663
2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane
CID 159306012
5-(2,6-dimethyl-4-pyridinyl)-3,6-dihydroxycyclohex-5-ene-1,2,4-trione
CID 137067676
1,2,4,6-tetramethylpyrimidin-1-ium
CID 3774525
2,6-dimethyl-4-(4-propan-2-ylphenyl)pyridine
CID 176864859

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine?
The IUPAC name of 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine (CID 101475098) is 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine.
What is the SMILES notation for 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine?
The canonical SMILES for 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine is Cc1cc(C2=C(c3cc(C)nc(C)c3)C(c3cc(C)nc(C)c3)=C(c3cc(C)nc(C)c3)C2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine?
The InChIKey is KOWYLWQAMUNRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4/c1-18-9-26(10-19(2)34-18)30-17-31(27-11-20(3)35-21(4)12-27)33(29-15-24(7)37-25(8)16-29)32(30)28-13-22(5)36-23(6)14-28/h9-16H,17H2,1-8H3.
What are the key properties of 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine?
2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine has a molecular weight of 486.66 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine is sourced from PubChem (CID 101475098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).