2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene

C26H24 — CID 174446313

IUPAC2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene
SMILESC(=CC1CCc2c(ccc3c2CCc2ccccc2-3)C1)c1ccccc1
InChIInChI=1S/C26H24/c1-2-6-19(7-3-1)10-11-20-12-15-24-22(18-20)14-17-25-23-9-5-4-8-21(23)13-16-26(24)25/h1-11,14,17,20H,12-13,15-16,18H2
InChIKeyBIYJJOSDMRLENX-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.27
Rot. Bonds2

About 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene

2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene (PubChem CID 174446313) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene.

Molecular Properties

Compound Name2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene
PubChem CID174446313
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene
SMILESC(=CC1CCc2c(ccc3c2CCc2ccccc2-3)C1)c1ccccc1
InChIInChI=1S/C26H24/c1-2-6-19(7-3-1)10-11-20-12-15-24-22(18-20)14-17-25-23-9-5-4-8-21(23)13-16-26(24)25/h1-11,14,17,20H,12-13,15-16,18H2
InChIKeyBIYJJOSDMRLENX-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene?
The IUPAC name of 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene (CID 174446313) is 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene.
What is the SMILES notation for 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene?
The canonical SMILES for 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene is C(=CC1CCc2c(ccc3c2CCc2ccccc2-3)C1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene?
The InChIKey is BIYJJOSDMRLENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-2-6-19(7-3-1)10-11-20-12-15-24-22(18-20)14-17-25-23-9-5-4-8-21(23)13-16-26(24)25/h1-11,14,17,20H,12-13,15-16,18H2.
What are the key properties of 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene?
2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene has a molecular weight of 336.48 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene is sourced from PubChem (CID 174446313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).