2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine

C24H29N — CID 170248861

IUPAC2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine
SMILESCCC1(C)C(c2ccc(C(C)C)cn2)=CC(c2ccccc2)=CC1C
InChIInChI=1S/C24H29N/c1-6-24(5)18(4)14-21(19-10-8-7-9-11-19)15-22(24)23-13-12-20(16-25-23)17(2)3/h7-18H,6H2,1-5H3
InChIKeyANBMRVRUSQIWBS-UHFFFAOYSA-N
MW331.50 g/mol
LogP6.74
Rot. Bonds4

About 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine

2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine (PubChem CID 170248861) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine
PubChem CID170248861
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine
SMILESCCC1(C)C(c2ccc(C(C)C)cn2)=CC(c2ccccc2)=CC1C
InChIInChI=1S/C24H29N/c1-6-24(5)18(4)14-21(19-10-8-7-9-11-19)15-22(24)23-13-12-20(16-25-23)17(2)3/h7-18H,6H2,1-5H3
InChIKeyANBMRVRUSQIWBS-UHFFFAOYSA-N
XLogP6.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 177029893
diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139672592
ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane
CID 142053065
di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139672616
4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine
CID 90051024
2-benzyl-5-propan-2-ylpyrimidine
CID 58170294
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944
2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
CID 160553096
2-(1-chloro-2,6-dimethyl-4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 170991370
2-(5-propan-2-yl-2-pyridinyl)benzamide
CID 166021786
2-methyl-1-(5-propan-2-yl-2-pyridinyl)cyclobutan-1-amine
CID 176651078
N-(5-propan-2-yl-2-pyridinyl)benzamide
CID 170385560

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine?
The IUPAC name of 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine (CID 170248861) is 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine?
The canonical SMILES for 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine is CCC1(C)C(c2ccc(C(C)C)cn2)=CC(c2ccccc2)=CC1C.
What is the InChIKey of 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine?
The InChIKey is ANBMRVRUSQIWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-6-24(5)18(4)14-21(19-10-8-7-9-11-19)15-22(24)23-13-12-20(16-25-23)17(2)3/h7-18H,6H2,1-5H3.
What are the key properties of 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine?
2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine has a molecular weight of 331.50 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5,6-dimethyl-3-phenylcyclohexa-1,3-dien-1-yl)-5-propan-2-ylpyridine is sourced from PubChem (CID 170248861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).