5-benzhydryl-6-methylidenecyclohexa-1,3-diene

C20H18 — CID 154090112

IUPAC5-benzhydryl-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,19-20H,1H2
InChIKeyIIYKKLPAWUTVPI-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.12
Rot. Bonds3

About 5-benzhydryl-6-methylidenecyclohexa-1,3-diene

5-benzhydryl-6-methylidenecyclohexa-1,3-diene (PubChem CID 154090112) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-benzhydryl-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-benzhydryl-6-methylidenecyclohexa-1,3-diene
PubChem CID154090112
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name5-benzhydryl-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,19-20H,1H2
InChIKeyIIYKKLPAWUTVPI-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
CID 173182255
6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine
CID 151273626
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole
CID 141147494
(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene
CID 131720872
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132

Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 5-benzhydryl-6-methylidenecyclohexa-1,3-diene (CID 154090112) is 5-benzhydryl-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-benzhydryl-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 5-benzhydryl-6-methylidenecyclohexa-1,3-diene is C=C1C=CC=CC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-benzhydryl-6-methylidenecyclohexa-1,3-diene?
The InChIKey is IIYKKLPAWUTVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,19-20H,1H2.
What are the key properties of 5-benzhydryl-6-methylidenecyclohexa-1,3-diene?
5-benzhydryl-6-methylidenecyclohexa-1,3-diene has a molecular weight of 258.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 154090112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).