6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene

C26H22 — CID 174377678

IUPAC6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene
SMILESC(=Cc1cc2c3c(ccc2c2ccccc12)CCCC3)c1ccccc1
InChIInChI=1S/C26H22/c1-2-8-19(9-3-1)14-15-21-18-26-22-11-5-4-10-20(22)16-17-25(26)24-13-7-6-12-23(21)24/h1-3,6-9,12-18H,4-5,10-11H2
InChIKeyOVGXNSAXVQBVTB-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.04
Rot. Bonds2

About 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene

6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene (PubChem CID 174377678) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene
PubChem CID174377678
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene
SMILESC(=Cc1cc2c3c(ccc2c2ccccc12)CCCC3)c1ccccc1
InChIInChI=1S/C26H22/c1-2-8-19(9-3-1)14-15-21-18-26-22-11-5-4-10-20(22)16-17-25(26)24-13-7-6-12-23(21)24/h1-3,6-9,12-18H,4-5,10-11H2
InChIKeyOVGXNSAXVQBVTB-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene (CID 174377678) is 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene is C(=Cc1cc2c3c(ccc2c2ccccc12)CCCC3)c1ccccc1.
What is the InChIKey of 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene?
The InChIKey is OVGXNSAXVQBVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-2-8-19(9-3-1)14-15-21-18-26-22-11-5-4-10-20(22)16-17-25(26)24-13-7-6-12-23(21)24/h1-3,6-9,12-18H,4-5,10-11H2.
What are the key properties of 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene?
6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene has a molecular weight of 334.46 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethenyl)-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174377678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).