[(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene

C30H22Cl2 — CID 134933549

IUPAC[(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene
SMILESCl/C=C1C(=C\Cl)\C(c2ccccc2)(c2ccccc2)C\1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22Cl2/c31-21-27-28(22-32)30(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29(27,23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22H/b27-21-,28-22+
InChIKeyUWFHTFCKIUKCDA-KKTFQPMKSA-N
MW453.41 g/mol
LogP8.22
Rot. Bonds4

About [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene

[(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene (PubChem CID 134933549) has the molecular formula C30H22Cl2 and a molecular weight of 453.41 g/mol. Its IUPAC name is [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene.

Molecular Properties

Compound Name[(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene
PubChem CID134933549
Molecular FormulaC30H22Cl2
Molecular Weight453.41 g/mol
Exact Mass452.11
IUPAC Name[(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene
SMILESCl/C=C1C(=C\Cl)\C(c2ccccc2)(c2ccccc2)C\1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22Cl2/c31-21-27-28(22-32)30(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29(27,23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22H/b27-21-,28-22+
InChIKeyUWFHTFCKIUKCDA-KKTFQPMKSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.41
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene?
The IUPAC name of [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene (CID 134933549) is [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene.
What is the SMILES notation for [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene?
The canonical SMILES for [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene is Cl/C=C1C(=C\Cl)\C(c2ccccc2)(c2ccccc2)C\1(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene?
The InChIKey is UWFHTFCKIUKCDA-KKTFQPMKSA-N. The full InChI is InChI=1S/C30H22Cl2/c31-21-27-28(22-32)30(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29(27,23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22H/b27-21-,28-22+.
What are the key properties of [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene?
[(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene has a molecular weight of 453.41 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene is sourced from PubChem (CID 134933549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).