5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole

C41H46N2 — CID 89408533

IUPAC5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole
SMILESC=C/C=C(/C=C/C=C\C=C\C(=C\C=C)c1ccc(C2=CN(CC)C(CC)N2)c(C=C)c1C=C)C(=C)/C=C1\CCC=CC1=C
InChIInChI=1S/C41H46N2/c1-9-21-33(32(8)29-35-26-20-19-23-31(35)7)24-17-15-16-18-25-34(22-10-2)38-27-28-39(37(12-4)36(38)11-3)40-30-43(14-6)41(13-5)42-40/h9-12,15-19,21-25,27-30,41-42H,1-4,7-8,13-14,20,26H2,5-6H3/b16-15-,24-17+,25-18+,33-21-,34-22-,35-29-
InChIKeyZHFZMWHJVSXJMA-BVSHAHRZSA-N
MW566.83 g/mol
LogP10.67
Rot. Bonds14

About 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole

5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole (PubChem CID 89408533) has the molecular formula C41H46N2 and a molecular weight of 566.83 g/mol. Its IUPAC name is 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole
PubChem CID89408533
Molecular FormulaC41H46N2
Molecular Weight566.83 g/mol
Exact Mass566.37
IUPAC Name5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole
SMILESC=C/C=C(/C=C/C=C\C=C\C(=C\C=C)c1ccc(C2=CN(CC)C(CC)N2)c(C=C)c1C=C)C(=C)/C=C1\CCC=CC1=C
InChIInChI=1S/C41H46N2/c1-9-21-33(32(8)29-35-26-20-19-23-31(35)7)24-17-15-16-18-25-34(22-10-2)38-27-28-39(37(12-4)36(38)11-3)40-30-43(14-6)41(13-5)42-40/h9-12,15-19,21-25,27-30,41-42H,1-4,7-8,13-14,20,26H2,5-6H3/b16-15-,24-17+,25-18+,33-21-,34-22-,35-29-
InChIKeyZHFZMWHJVSXJMA-BVSHAHRZSA-N
XLogP10.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.83
LogP ≤ 510.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole?
The IUPAC name of 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole (CID 89408533) is 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole.
What is the SMILES notation for 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole?
The canonical SMILES for 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole is C=C/C=C(/C=C/C=C\C=C\C(=C\C=C)c1ccc(C2=CN(CC)C(CC)N2)c(C=C)c1C=C)C(=C)/C=C1\CCC=CC1=C.
What is the InChIKey of 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole?
The InChIKey is ZHFZMWHJVSXJMA-BVSHAHRZSA-N. The full InChI is InChI=1S/C41H46N2/c1-9-21-33(32(8)29-35-26-20-19-23-31(35)7)24-17-15-16-18-25-34(22-10-2)38-27-28-39(37(12-4)36(38)11-3)40-30-43(14-6)41(13-5)42-40/h9-12,15-19,21-25,27-30,41-42H,1-4,7-8,13-14,20,26H2,5-6H3/b16-15-,24-17+,25-18+,33-21-,34-22-,35-29-.
What are the key properties of 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole?
5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole has a molecular weight of 566.83 g/mol, XLogP of 10.67, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-bis(ethenyl)-4-[(3Z,5E,7Z,9E,11Z)-11-[(3Z)-3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]tetradeca-1,3,5,7,9,11,13-heptaen-4-yl]phenyl]-2,3-diethyl-1,2-dihydroimidazole is sourced from PubChem (CID 89408533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).