2-[(E)-2-phenylethenyl]azulene

C18H14 — CID 12674002

IUPAC2-[(E)-2-phenylethenyl]azulene
SMILESC(=C/c1cc2cccccc-2c1)\c1ccccc1
InChIInChI=1S/C18H14/c1-3-7-15(8-4-1)11-12-16-13-17-9-5-2-6-10-18(17)14-16/h1-14H/b12-11+
InChIKeyDTDNUIOALHJSRE-VAWYXSNFSA-N
MW230.31 g/mol
LogP4.96
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]azulene

2-[(E)-2-phenylethenyl]azulene (PubChem CID 12674002) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]azulene.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]azulene
PubChem CID12674002
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name2-[(E)-2-phenylethenyl]azulene
SMILESC(=C/c1cc2cccccc-2c1)\c1ccccc1
InChIInChI=1S/C18H14/c1-3-7-15(8-4-1)11-12-16-13-17-9-5-2-6-10-18(17)14-16/h1-14H/b12-11+
InChIKeyDTDNUIOALHJSRE-VAWYXSNFSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-diphenyl-4-[(E)-2-phenylethenyl]pyridine
CID 164669085
CID 70567885
CID 70567885
CID 70569152
CID 70569152
9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 58402256
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
stilbene;sulfuric acid
CID 67612140
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
1-[3-(2-phenylethenyl)phenyl]naphthalene
CID 72533477
N,N-dimethylmethanamine;stilbene
CID 174368184
stilbene azide
CID 159769295

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]azulene?
The IUPAC name of 2-[(E)-2-phenylethenyl]azulene (CID 12674002) is 2-[(E)-2-phenylethenyl]azulene.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]azulene?
The canonical SMILES for 2-[(E)-2-phenylethenyl]azulene is C(=C/c1cc2cccccc-2c1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]azulene?
The InChIKey is DTDNUIOALHJSRE-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H14/c1-3-7-15(8-4-1)11-12-16-13-17-9-5-2-6-10-18(17)14-16/h1-14H/b12-11+.
What are the key properties of 2-[(E)-2-phenylethenyl]azulene?
2-[(E)-2-phenylethenyl]azulene has a molecular weight of 230.31 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]azulene is sourced from PubChem (CID 12674002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).