(1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene

C35H28 — CID 102351980

IUPAC(1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C35H28/c1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30,31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29/h1-25,33H,26H2
InChIKeyXOUWOGSHGCXOSU-UHFFFAOYSA-N
MW448.61 g/mol
LogP8.77
Rot. Bonds5

About (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene

(1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene (PubChem CID 102351980) has the molecular formula C35H28 and a molecular weight of 448.61 g/mol. Its IUPAC name is (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene.

Molecular Properties

Compound Name(1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene
PubChem CID102351980
Molecular FormulaC35H28
Molecular Weight448.61 g/mol
Exact Mass448.22
IUPAC Name(1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C35H28/c1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30,31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29/h1-25,33H,26H2
InChIKeyXOUWOGSHGCXOSU-UHFFFAOYSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene
CID 71534409
(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene
CID 177493569
[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene
CID 101078426
2,2,3-triphenylcyclopentan-1-one
CID 90111687
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene
CID 102421677
2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane
CID 161247192
(2S,5R)-2,4,5-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7471917
5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole
CID 101067448
(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane
CID 134895589
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine
CID 616519

Frequently Asked Questions

What is the IUPAC name of (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene?
The IUPAC name of (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene (CID 102351980) is (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene.
What is the SMILES notation for (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene?
The canonical SMILES for (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene is c1ccc(C2=C(c3ccccc3)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene?
The InChIKey is XOUWOGSHGCXOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28/c1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30,31-24-14-5-15-25-31)34(32)29-20-10-3-11-21-29/h1-25,33H,26H2.
What are the key properties of (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene?
(1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene has a molecular weight of 448.61 g/mol, XLogP of 8.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene is sourced from PubChem (CID 102351980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).