4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine

C32H29NO — CID 122228206

IUPAC4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine
SMILESC=C(/C=C(/c1ccc(-c2ccccc2)cc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H29NO/c1-25(26-12-14-29(15-13-26)27-8-4-2-5-9-27)24-32(33-20-22-34-23-21-33)31-18-16-30(17-19-31)28-10-6-3-7-11-28/h2-19,24H,1,20-23H2/b32-24-
InChIKeyIISRXAIQAYVWKH-TZHWMEPESA-N
MW443.59 g/mol
LogP7.41
Rot. Bonds6

About 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine

4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine (PubChem CID 122228206) has the molecular formula C32H29NO and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine
PubChem CID122228206
Molecular FormulaC32H29NO
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Name4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine
SMILESC=C(/C=C(/c1ccc(-c2ccccc2)cc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H29NO/c1-25(26-12-14-29(15-13-26)27-8-4-2-5-9-27)24-32(33-20-22-34-23-21-33)31-18-16-30(17-19-31)28-10-6-3-7-11-28/h2-19,24H,1,20-23H2/b32-24-
InChIKeyIISRXAIQAYVWKH-TZHWMEPESA-N
XLogP7.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine (CID 122228206) is 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine is C=C(/C=C(/c1ccc(-c2ccccc2)cc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine?
The InChIKey is IISRXAIQAYVWKH-TZHWMEPESA-N. The full InChI is InChI=1S/C32H29NO/c1-25(26-12-14-29(15-13-26)27-8-4-2-5-9-27)24-32(33-20-22-34-23-21-33)31-18-16-30(17-19-31)28-10-6-3-7-11-28/h2-19,24H,1,20-23H2/b32-24-.
What are the key properties of 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine?
4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine has a molecular weight of 443.59 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine is sourced from PubChem (CID 122228206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).