(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane

C20H25N — CID 144543391

IUPAC(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane
SMILESC.C=Cc1c(/C=C\C)n(-c2ccccc2)c(=C/C)/c1=C\C
InChIInChI=1S/C19H21N.CH4/c1-5-12-19-17(7-3)16(6-2)18(8-4)20(19)15-13-10-9-11-14-15;/h5-14H,3H2,1-2,4H3;1H4/b12-5-,16-6-,18-8+;
InChIKeyHEAFWDQKQCFGSS-NAOFVXCBSA-N
MW279.43 g/mol
LogP4.39
Rot. Bonds3

About (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane

(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane (PubChem CID 144543391) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane.

Molecular Properties

Compound Name(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane
PubChem CID144543391
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane
SMILESC.C=Cc1c(/C=C\C)n(-c2ccccc2)c(=C/C)/c1=C\C
InChIInChI=1S/C19H21N.CH4/c1-5-12-19-17(7-3)16(6-2)18(8-4)20(19)15-13-10-9-11-14-15;/h5-14H,3H2,1-2,4H3;1H4/b12-5-,16-6-,18-8+;
InChIKeyHEAFWDQKQCFGSS-NAOFVXCBSA-N
XLogP4.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z,5E)-2-ethenyl-4,5-di(ethylidene)-1-phenyl-3-prop-1-enylpyrrole
CID 144543415
ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine
CID 142288956
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
CID 143438004
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole
CID 122678080
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene
CID 170381836
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane?
The IUPAC name of (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane (CID 144543391) is (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane.
What is the SMILES notation for (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane?
The canonical SMILES for (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane is C.C=Cc1c(/C=C\C)n(-c2ccccc2)c(=C/C)/c1=C\C.
What is the InChIKey of (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane?
The InChIKey is HEAFWDQKQCFGSS-NAOFVXCBSA-N. The full InChI is InChI=1S/C19H21N.CH4/c1-5-12-19-17(7-3)16(6-2)18(8-4)20(19)15-13-10-9-11-14-15;/h5-14H,3H2,1-2,4H3;1H4/b12-5-,16-6-,18-8+;.
What are the key properties of (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane?
(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane has a molecular weight of 279.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane is sourced from PubChem (CID 144543391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).