3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene

C32H24O2 — CID 151830839

IUPAC3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene
SMILESC(c1ccc(Oc2ccccc2)cc1)=c1ccc(=Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C32H24O2/c1-3-7-29(8-4-1)33-31-19-15-27(16-20-31)23-25-11-13-26(14-12-25)24-28-17-21-32(22-18-28)34-30-9-5-2-6-10-30/h1-24H/b25-23-,26-24+
InChIKeySEPSNEGVDNFWSE-MJPLYFDISA-N
MW440.54 g/mol
LogP6.93
Rot. Bonds6

About 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene

3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene (PubChem CID 151830839) has the molecular formula C32H24O2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene.

Molecular Properties

Compound Name3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene
PubChem CID151830839
Molecular FormulaC32H24O2
Molecular Weight440.54 g/mol
Exact Mass440.18
IUPAC Name3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene
SMILESC(c1ccc(Oc2ccccc2)cc1)=c1ccc(=Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C32H24O2/c1-3-7-29(8-4-1)33-31-19-15-27(16-20-31)23-25-11-13-26(14-12-25)24-28-17-21-32(22-18-28)34-30-9-5-2-6-10-30/h1-24H/b25-23-,26-24+
InChIKeySEPSNEGVDNFWSE-MJPLYFDISA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
potassium;hydride;phenoxybenzene
CID 173391576
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
oxophosphanium;phenoxybenzene
CID 161329594
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
N-[(4-phenoxyphenyl)methylideneamino]methanamine
CID 110839619

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene?
The IUPAC name of 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene (CID 151830839) is 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene.
What is the SMILES notation for 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene?
The canonical SMILES for 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene is C(c1ccc(Oc2ccccc2)cc1)=c1ccc(=Cc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene?
The InChIKey is SEPSNEGVDNFWSE-MJPLYFDISA-N. The full InChI is InChI=1S/C32H24O2/c1-3-7-29(8-4-1)33-31-19-15-27(16-20-31)23-25-11-13-26(14-12-25)24-28-17-21-32(22-18-28)34-30-9-5-2-6-10-30/h1-24H/b25-23-,26-24+.
What are the key properties of 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene?
3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene has a molecular weight of 440.54 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene is sourced from PubChem (CID 151830839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).