(4-phenylcyclopenta-1,2-dien-1-yl)benzene

C17H14 — CID 57222189

IUPAC(4-phenylcyclopenta-1,2-dien-1-yl)benzene
SMILESC1=CC(c2ccccc2)CC=1c1ccccc1
InChIInChI=1S/C17H14/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15/h1-11,16H,13H2
InChIKeyZWHJQTVDSDDOCN-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.41
Rot. Bonds2

About (4-phenylcyclopenta-1,2-dien-1-yl)benzene

(4-phenylcyclopenta-1,2-dien-1-yl)benzene (PubChem CID 57222189) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4-phenylcyclopenta-1,2-dien-1-yl)benzene.

Molecular Properties

Compound Name(4-phenylcyclopenta-1,2-dien-1-yl)benzene
PubChem CID57222189
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name(4-phenylcyclopenta-1,2-dien-1-yl)benzene
SMILESC1=CC(c2ccccc2)CC=1c1ccccc1
InChIInChI=1S/C17H14/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15/h1-11,16H,13H2
InChIKeyZWHJQTVDSDDOCN-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-diphenylcyclopent-2-en-1-one
CID 14147527
benzene;cyclopropylbenzene
CID 144638417
cyclopenta-1,2-dien-1-ylbenzene
CID 14737125
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
2,6-dimethyl-4-phenyl-3,4-dihydropyridine
CID 57025415
2,2-dimethyl-1-oxido-3,5-diphenyl-3,4-dihydropyrrol-1-ium
CID 10956439
(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
benzene;1,1'-biphenyl;ethane
CID 158550617
1-fluoro-3-methyl-5-phenylcyclohexa-1,3-diene
CID 163813162
1,1-dimethyl-2,5-diphenylsilolane
CID 13168396
tert-butyl (2S)-3,5-diphenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 138979616
benzene;tris(1,1'-biphenyl)
CID 162155747

Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclopenta-1,2-dien-1-yl)benzene?
The IUPAC name of (4-phenylcyclopenta-1,2-dien-1-yl)benzene (CID 57222189) is (4-phenylcyclopenta-1,2-dien-1-yl)benzene.
What is the SMILES notation for (4-phenylcyclopenta-1,2-dien-1-yl)benzene?
The canonical SMILES for (4-phenylcyclopenta-1,2-dien-1-yl)benzene is C1=CC(c2ccccc2)CC=1c1ccccc1.
What is the InChIKey of (4-phenylcyclopenta-1,2-dien-1-yl)benzene?
The InChIKey is ZWHJQTVDSDDOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15/h1-11,16H,13H2.
What are the key properties of (4-phenylcyclopenta-1,2-dien-1-yl)benzene?
(4-phenylcyclopenta-1,2-dien-1-yl)benzene has a molecular weight of 218.30 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclopenta-1,2-dien-1-yl)benzene is sourced from PubChem (CID 57222189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).