4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine

C30H30N2 — CID 102053725

IUPAC4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine
SMILESCc1ccc(C2C(c3ccncc3)C(c3ccc(C)c(C)c3)C2c2ccncc2)cc1C
InChIInChI=1S/C30H30N2/c1-19-5-7-25(17-21(19)3)29-27(23-9-13-31-14-10-23)30(26-8-6-20(2)22(4)18-26)28(29)24-11-15-32-16-12-24/h5-18,27-30H,1-4H3
InChIKeyREXKWNFEXUGAIZ-UHFFFAOYSA-N
MW418.58 g/mol
LogP7.16
Rot. Bonds4

About 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine

4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine (PubChem CID 102053725) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine.

Molecular Properties

Compound Name4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine
PubChem CID102053725
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine
SMILESCc1ccc(C2C(c3ccncc3)C(c3ccc(C)c(C)c3)C2c2ccncc2)cc1C
InChIInChI=1S/C30H30N2/c1-19-5-7-25(17-21(19)3)29-27(23-9-13-31-14-10-23)30(26-8-6-20(2)22(4)18-26)28(29)24-11-15-32-16-12-24/h5-18,27-30H,1-4H3
InChIKeyREXKWNFEXUGAIZ-UHFFFAOYSA-N
XLogP7.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R,3S,4R,5S,10S,11R,12S,13R)-4,11,12-tripyridin-4-yl-3-pentacyclo[12.2.2.26,9.02,5.010,13]icosa-1(16),6(20),7,9(19),14,17-hexaenyl]pyridine
CID 101374305
3-(3,4-dimethylphenyl)azetidine
CID 82280235
4-[(1R,2R,3S,4S)-2-(4-cyanophenyl)-3,4-dipyridin-4-ylcyclobutyl]benzonitrile
CID 102059489
4-[(Z)-2-(3,4-dimethylphenyl)ethenyl]pyridine
CID 142200256
(2S)-2-(3,4-dimethylphenyl)oxirane
CID 40580634
7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557056
3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine
CID 143173718
3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine
CID 130488486
3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide
CID 133269180
2,8,14,20-tetrakis(3,4-dimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CID 121275263
1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 53276282
3-(3,4-dimethylphenyl)-3H-pyridazin-6-one
CID 71652064

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine?
The IUPAC name of 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine (CID 102053725) is 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine.
What is the SMILES notation for 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine?
The canonical SMILES for 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine is Cc1ccc(C2C(c3ccncc3)C(c3ccc(C)c(C)c3)C2c2ccncc2)cc1C.
What is the InChIKey of 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine?
The InChIKey is REXKWNFEXUGAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2/c1-19-5-7-25(17-21(19)3)29-27(23-9-13-31-14-10-23)30(26-8-6-20(2)22(4)18-26)28(29)24-11-15-32-16-12-24/h5-18,27-30H,1-4H3.
What are the key properties of 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine?
4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine has a molecular weight of 418.58 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine is sourced from PubChem (CID 102053725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).