3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine

C42H33NO — CID 18704474

IUPAC3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine
SMILESCCN1c2ccc(C=C(c3ccccc3)c3ccccc3)cc2Oc2cc(C=C(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C42H33NO/c1-2-43-39-25-23-31(27-37(33-15-7-3-8-16-33)34-17-9-4-10-18-34)29-41(39)44-42-30-32(24-26-40(42)43)28-38(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-30H,2H2,1H3
InChIKeyJXVFXGCHFISSQA-UHFFFAOYSA-N
MW567.73 g/mol
LogP11.13
Rot. Bonds7

About 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine

3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine (PubChem CID 18704474) has the molecular formula C42H33NO and a molecular weight of 567.73 g/mol. Its IUPAC name is 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine.

Molecular Properties

Compound Name3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine
PubChem CID18704474
Molecular FormulaC42H33NO
Molecular Weight567.73 g/mol
Exact Mass567.26
IUPAC Name3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine
SMILESCCN1c2ccc(C=C(c3ccccc3)c3ccccc3)cc2Oc2cc(C=C(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C42H33NO/c1-2-43-39-25-23-31(27-37(33-15-7-3-8-16-33)34-17-9-4-10-18-34)29-41(39)44-42-30-32(24-26-40(42)43)28-38(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-30H,2H2,1H3
InChIKeyJXVFXGCHFISSQA-UHFFFAOYSA-N
XLogP11.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine?
The IUPAC name of 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine (CID 18704474) is 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine.
What is the SMILES notation for 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine?
The canonical SMILES for 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine is CCN1c2ccc(C=C(c3ccccc3)c3ccccc3)cc2Oc2cc(C=C(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine?
The InChIKey is JXVFXGCHFISSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33NO/c1-2-43-39-25-23-31(27-37(33-15-7-3-8-16-33)34-17-9-4-10-18-34)29-41(39)44-42-30-32(24-26-40(42)43)28-38(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-30H,2H2,1H3.
What are the key properties of 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine?
3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine has a molecular weight of 567.73 g/mol, XLogP of 11.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(2,2-diphenylethenyl)-10-ethylphenoxazine is sourced from PubChem (CID 18704474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).