(2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole

C32H41F2N — CID 135294803

IUPAC(2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole
SMILESC=C(C)C1=CCC(C2=CN(CC3CCC(F)(F)CC3)/C(=C/C(=C)C3=C(C)CCC(C)=C3C)C2)C=C1
InChIInChI=1S/C32H41F2N/c1-21(2)27-9-11-28(12-10-27)29-18-30(17-24(5)31-23(4)8-7-22(3)25(31)6)35(20-29)19-26-13-15-32(33,34)16-14-26/h9-11,17,20,26,28H,1,5,7-8,12-16,18-19H2,2-4,6H3/b30-17+
InChIKeyPSVDLMSSYFXHHU-OCSSWDANSA-N
MW477.68 g/mol
LogP9.37
Rot. Bonds6

About (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole

(2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole (PubChem CID 135294803) has the molecular formula C32H41F2N and a molecular weight of 477.68 g/mol. Its IUPAC name is (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole.

Molecular Properties

Compound Name(2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole
PubChem CID135294803
Molecular FormulaC32H41F2N
Molecular Weight477.68 g/mol
Exact Mass477.32
IUPAC Name(2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole
SMILESC=C(C)C1=CCC(C2=CN(CC3CCC(F)(F)CC3)/C(=C/C(=C)C3=C(C)CCC(C)=C3C)C2)C=C1
InChIInChI=1S/C32H41F2N/c1-21(2)27-9-11-28(12-10-27)29-18-30(17-24(5)31-23(4)8-7-22(3)25(31)6)35(20-29)19-26-13-15-32(33,34)16-14-26/h9-11,17,20,26,28H,1,5,7-8,12-16,18-19H2,2-4,6H3/b30-17+
InChIKeyPSVDLMSSYFXHHU-OCSSWDANSA-N
XLogP9.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.68
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole 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

1-[3-Methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)butyl]-5-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3a,4-dihydroindole
CID 134345660
(2E)-1-[(4,4-difluorocyclohexyl)methyl]-2-[(E)-4-methyl-2-methylidene-3-prop-1-en-2-ylhex-3-enylidene]-3H-pyrrole
CID 135294797
(2E)-3-[(3E)-3-[1-[(4,4-difluorocyclohexyl)methyl]-3H-pyrrol-2-ylidene]prop-1-en-2-yl]-N,4-dimethylpenta-2,4-dien-2-amine
CID 135294948
(2E)-1-[(4,4-difluorocyclohexyl)methyl]-2-[(2Z)-2-ethylidene-4,7,8-trimethylnon-7-enylidene]-3-methylidene-4-[(3E)-penta-1,3-dien-3-yl]pyrrolidine
CID 135294954
4-(3-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-5-methyl-1-[(1,4,4-trifluorocyclohexyl)methyl]-6-[(E)-2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-1-enyl]-2H-pyridine
CID 135295066
(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
CID 135295121
(Z)-N-(cyclohexylmethyl)-N-[2-[(5S)-4,5-dimethylcyclopenta-1,3-dien-1-yl]ethyl]-2-fluorobut-1-en-1-amine
CID 173844592
7,7-Diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene
CID 162582251
4-Cyclohexa-2,4-dien-1-ylidene-2-(3,3-difluorocyclohexyl)-1-methylpyridine
CID 162587626
butane;ethane;ethene;(1Z,3E)-N-ethyl-2-[1-(3-ethylhex-1-en-2-yl)pyrrolidin-3-yl]-N,3-dimethylpenta-1,3-dien-1-amine;methylcyclohexane;pentane
CID 142354971
9-[(4-Ethylcyclohexa-2,4-dien-1-yl)methyl]-1,2,4b,5,6,7-hexahydrocarbazole
CID 145645008
2-buta-1,3-dien-2-yl-N,3-dimethyl-N-(2-methylprop-2-enyl)cyclopenten-1-amine;ethane;ethylcyclohexane;3-(4-fluoroheptan-4-yl)-1,2-dimethylcyclohexa-1,3-diene
CID 153575410

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole?
The IUPAC name of (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole (CID 135294803) is (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole.
What is the SMILES notation for (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole?
The canonical SMILES for (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole is C=C(C)C1=CCC(C2=CN(CC3CCC(F)(F)CC3)/C(=C/C(=C)C3=C(C)CCC(C)=C3C)C2)C=C1.
What is the InChIKey of (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole?
The InChIKey is PSVDLMSSYFXHHU-OCSSWDANSA-N. The full InChI is InChI=1S/C32H41F2N/c1-21(2)27-9-11-28(12-10-27)29-18-30(17-24(5)31-23(4)8-7-22(3)25(31)6)35(20-29)19-26-13-15-32(33,34)16-14-26/h9-11,17,20,26,28H,1,5,7-8,12-16,18-19H2,2-4,6H3/b30-17+.
What are the key properties of (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole?
(2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole has a molecular weight of 477.68 g/mol, XLogP of 9.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[(4,4-difluorocyclohexyl)methyl]-4-(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)-2-[2-(2,5,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-3H-pyrrole is sourced from PubChem (CID 135294803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).