[diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene

C27H26 — CID 141345838

IUPAC[diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
SMILESCCCC1=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26/c1-2-13-22-14-12-21-26(22)27(23-15-6-3-7-16-23,24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-12,14-21,26H,2,13H2,1H3
InChIKeyTVCFMMCYPDZWIZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP6.93
Rot. Bonds6

About [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene

[diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene (PubChem CID 141345838) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene.

Molecular Properties

Compound Name[diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
PubChem CID141345838
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name[diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
SMILESCCCC1=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26/c1-2-13-22-14-12-21-26(22)27(23-15-6-3-7-16-23,24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-12,14-21,26H,2,13H2,1H3
InChIKeyTVCFMMCYPDZWIZ-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
CID 141345904
5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene
CID 173216228
1-[[diphenyl-(4-propylphenyl)methyl]sulfanyl-diphenylmethyl]-4-propylbenzene
CID 54444176
1-[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
CID 141345898
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane
CID 70424528
1-propyl-4-(trityloxymethyl)benzene
CID 129275643
4-(4-phenylheptan-4-ylsulfanyl)heptan-4-ylbenzene
CID 54542115
tert-butylbenzene;hexane
CID 175254424
(2-ethylcyclopenta-2,4-dien-1-yl)-dimethyl-phenylsilane
CID 173383828
N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline
CID 143269245
[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol
CID 102351824

Frequently Asked Questions

What is the IUPAC name of [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene?
The IUPAC name of [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene (CID 141345838) is [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene.
What is the SMILES notation for [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene?
The canonical SMILES for [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene is CCCC1=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene?
The InChIKey is TVCFMMCYPDZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-2-13-22-14-12-21-26(22)27(23-15-6-3-7-16-23,24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-12,14-21,26H,2,13H2,1H3.
What are the key properties of [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene?
[diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene has a molecular weight of 350.51 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene is sourced from PubChem (CID 141345838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).