[5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene

C30H32 — CID 11338353

IUPAC[5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene
SMILESC(=C(CCc1ccccc1)CCc1ccccc1)=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C30H32/c1-4-10-25(11-5-1)16-18-27(19-17-26-12-6-2-7-13-26)24-28-20-22-30(23-21-28)29-14-8-3-9-15-29/h1-15,30H,16-23H2
InChIKeyWHBWDAXWQCZCNB-UHFFFAOYSA-N
MW392.59 g/mol
LogP8.06
Rot. Bonds7

About [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene

[5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene (PubChem CID 11338353) has the molecular formula C30H32 and a molecular weight of 392.59 g/mol. Its IUPAC name is [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene.

Molecular Properties

Compound Name[5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene
PubChem CID11338353
Molecular FormulaC30H32
Molecular Weight392.59 g/mol
Exact Mass392.25
IUPAC Name[5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene
SMILESC(=C(CCc1ccccc1)CCc1ccccc1)=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C30H32/c1-4-10-25(11-5-1)16-18-27(19-17-26-12-6-2-7-13-26)24-28-20-22-30(23-21-28)29-14-8-3-9-15-29/h1-15,30H,16-23H2
InChIKeyWHBWDAXWQCZCNB-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene?
The IUPAC name of [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene (CID 11338353) is [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene.
What is the SMILES notation for [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene?
The canonical SMILES for [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene is C(=C(CCc1ccccc1)CCc1ccccc1)=C1CCC(c2ccccc2)CC1.
What is the InChIKey of [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene?
The InChIKey is WHBWDAXWQCZCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32/c1-4-10-25(11-5-1)16-18-27(19-17-26-12-6-2-7-13-26)24-28-20-22-30(23-21-28)29-14-8-3-9-15-29/h1-15,30H,16-23H2.
What are the key properties of [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene?
[5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene has a molecular weight of 392.59 g/mol, XLogP of 8.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-phenyl-3-[(4-phenylcyclohexylidene)methylidene]pentyl]benzene is sourced from PubChem (CID 11338353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).