1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene

C26H24 — CID 178069249

IUPAC1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene
SMILESC=C(C#Cc1ccccc1)C(C)(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24/c1-21(14-15-22-10-6-4-7-11-22)26(2,3)20-23-16-18-25(19-17-23)24-12-8-5-9-13-24/h4-13,16-19H,1,20H2,2-3H3
InChIKeyOKTWVSSZCBEJCE-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.53
Rot. Bonds4

About 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene

1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene (PubChem CID 178069249) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene
PubChem CID178069249
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene
SMILESC=C(C#Cc1ccccc1)C(C)(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24/c1-21(14-15-22-10-6-4-7-11-22)26(2,3)20-23-16-18-25(19-17-23)24-12-8-5-9-13-24/h4-13,16-19H,1,20H2,2-3H3
InChIKeyOKTWVSSZCBEJCE-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
2-methyl-1-(4-methylphenyl)-4-phenylbut-3-yn-2-ol
CID 11680385
3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one
CID 100928850
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
ethyl 2-acetyl-2-methyl-3-methylidene-5-phenylpent-4-ynoate
CID 101376632
1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
CID 126511396
2-methylidene-4-phenylbut-3-yn-1-ol
CID 10534945
(3-benzyl-3-methylpenta-1,4-diynyl)benzene
CID 173077955
1-[4-[2-(4-phenylphenyl)ethynyl]phenyl]propan-1-one
CID 139662703
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
1-[2-[(2-methylpropan-2-yl)oxy]ethynyl]-4-phenylbenzene
CID 102338095

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene?
The IUPAC name of 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene (CID 178069249) is 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene.
What is the SMILES notation for 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene?
The canonical SMILES for 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene is C=C(C#Cc1ccccc1)C(C)(C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene?
The InChIKey is OKTWVSSZCBEJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-21(14-15-22-10-6-4-7-11-22)26(2,3)20-23-16-18-25(19-17-23)24-12-8-5-9-13-24/h4-13,16-19H,1,20H2,2-3H3.
What are the key properties of 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene?
1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene has a molecular weight of 336.48 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-methylidene-5-phenylpent-4-ynyl)-4-phenylbenzene is sourced from PubChem (CID 178069249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).