1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene

C26H30 — CID 123461585

IUPAC1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene
SMILESCCc1c(C)cc(C)c2c1C(C)CCC=C(C=Cc1ccccc1)C=C2
InChIInChI=1S/C26H30/c1-5-24-20(3)18-21(4)25-17-16-23(13-9-10-19(2)26(24)25)15-14-22-11-7-6-8-12-22/h6-8,11-19H,5,9-10H2,1-4H3
InChIKeyLHQFMCZMXBYVLJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.42
Rot. Bonds3

About 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene

1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene (PubChem CID 123461585) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene.

Molecular Properties

Compound Name1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene
PubChem CID123461585
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene
SMILESCCc1c(C)cc(C)c2c1C(C)CCC=C(C=Cc1ccccc1)C=C2
InChIInChI=1S/C26H30/c1-5-24-20(3)18-21(4)25-17-16-23(13-9-10-19(2)26(24)25)15-14-22-11-7-6-8-12-22/h6-8,11-19H,5,9-10H2,1-4H3
InChIKeyLHQFMCZMXBYVLJ-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene?
The IUPAC name of 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene (CID 123461585) is 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene.
What is the SMILES notation for 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene?
The canonical SMILES for 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene is CCc1c(C)cc(C)c2c1C(C)CCC=C(C=Cc1ccccc1)C=C2.
What is the InChIKey of 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene?
The InChIKey is LHQFMCZMXBYVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-5-24-20(3)18-21(4)25-17-16-23(13-9-10-19(2)26(24)25)15-14-22-11-7-6-8-12-22/h6-8,11-19H,5,9-10H2,1-4H3.
What are the key properties of 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene?
1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene has a molecular weight of 342.53 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,11-trimethyl-7-(2-phenylethenyl)-10,11-dihydro-9H-benzo[9]annulene is sourced from PubChem (CID 123461585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).