1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene

C25H20S — CID 102079091

IUPAC1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene
SMILESC=C(SC1C=C(c2ccccc2)C=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20S/c1-19(20-11-5-2-6-12-20)26-25-18-23(21-13-7-3-8-14-21)17-24(25)22-15-9-4-10-16-22/h2-18,25H,1H2
InChIKeyPDBUTLKWUSFUKJ-UHFFFAOYSA-N
MW352.50 g/mol
LogP6.94
Rot. Bonds5

About 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene

1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene (PubChem CID 102079091) has the molecular formula C25H20S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene.

Molecular Properties

Compound Name1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene
PubChem CID102079091
Molecular FormulaC25H20S
Molecular Weight352.50 g/mol
Exact Mass352.13
IUPAC Name1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene
SMILESC=C(SC1C=C(c2ccccc2)C=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20S/c1-19(20-11-5-2-6-12-20)26-25-18-23(21-13-7-3-8-14-21)17-24(25)22-15-9-4-10-16-22/h2-18,25H,1H2
InChIKeyPDBUTLKWUSFUKJ-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145073335
1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene
CID 132584149
S-(1-phenylethenyl)thiohydroxylamine
CID 152889911
3-(1-phenylethenylsulfanyl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 155574697
6-bromo-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene
CID 73011360
1-phenylethenylsulfanylbenzene
CID 3594215
(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene
CID 22327814
[4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene
CID 123789812
(1S)-2-phenylbicyclo[2.2.1]hept-2-ene
CID 91330733
2-(1-phenylethenylsulfanyl)prop-2-enal
CID 170789721
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene?
The IUPAC name of 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene (CID 102079091) is 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene.
What is the SMILES notation for 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene?
The canonical SMILES for 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene is C=C(SC1C=C(c2ccccc2)C=C1c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene?
The InChIKey is PDBUTLKWUSFUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20S/c1-19(20-11-5-2-6-12-20)26-25-18-23(21-13-7-3-8-14-21)17-24(25)22-15-9-4-10-16-22/h2-18,25H,1H2.
What are the key properties of 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene?
1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene has a molecular weight of 352.50 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene is sourced from PubChem (CID 102079091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).