2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene

C28H22 — CID 145266623

IUPAC2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene
SMILESC=Cc1c(C=C)c(-c2ccccc2)c2c(c1-c1ccccc1)C=CC=CC2=C
InChIInChI=1S/C28H22/c1-4-23-24(5-2)28(22-17-10-7-11-18-22)26-20(3)14-12-13-19-25(26)27(23)21-15-8-6-9-16-21/h4-19H,1-3H2
InChIKeyYRUVQENVHSIFQE-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.90
Rot. Bonds4

About 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene

2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene (PubChem CID 145266623) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene
PubChem CID145266623
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene
SMILESC=Cc1c(C=C)c(-c2ccccc2)c2c(c1-c1ccccc1)C=CC=CC2=C
InChIInChI=1S/C28H22/c1-4-23-24(5-2)28(22-17-10-7-11-18-22)26-20(3)14-12-13-19-25(26)27(23)21-15-8-6-9-16-21/h4-19H,1-3H2
InChIKeyYRUVQENVHSIFQE-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-ethenyl-3,4,5-triphenylbenzene
CID 175315549
benzene;1,1'-biphenyl;ethenamine
CID 174584589
6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene
CID 123580196
1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene
CID 145266518
1-[2,3-bis(ethenyl)-4-phenylphenyl]-2,3-bis(ethenyl)-4-phenylnaphthalene;ethane
CID 145309553
tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate
CID 174396592
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
3-ethenyl-2,4,6-triphenylphenol
CID 174543439
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
2-ethenyl-4-phenylbenzene-1,3-diol
CID 151131701
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
3-ethenyl-4-phenylchromen-2-one
CID 24787269

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene?
The IUPAC name of 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene (CID 145266623) is 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene.
What is the SMILES notation for 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene?
The canonical SMILES for 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene is C=Cc1c(C=C)c(-c2ccccc2)c2c(c1-c1ccccc1)C=CC=CC2=C.
What is the InChIKey of 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene?
The InChIKey is YRUVQENVHSIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-4-23-24(5-2)28(22-17-10-7-11-18-22)26-20(3)14-12-13-19-25(26)27(23)21-15-8-6-9-16-21/h4-19H,1-3H2.
What are the key properties of 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene?
2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene has a molecular weight of 358.48 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene is sourced from PubChem (CID 145266623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).