3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine

C45H32N2O — CID 69460845

IUPAC3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine
SMILESC(=C(/c1ccccc1)c1ccc2c(c1)Oc1cc(/C(=C\c3ccccc3)c3ccccc3)ccc1N2c1ccccn1)\c1ccccc1
InChIInChI=1S/C45H32N2O/c1-5-15-33(16-6-1)29-39(35-19-9-3-10-20-35)37-24-26-41-43(31-37)48-44-32-38(25-27-42(44)47(41)45-23-13-14-28-46-45)40(36-21-11-4-12-22-36)30-34-17-7-2-8-18-34/h1-32H/b39-29-,40-30-
InChIKeyFPNBFQHWRXDHPR-LDIFZFAOSA-N
MW616.76 g/mol
LogP11.83
Rot. Bonds7

About 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine

3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine (PubChem CID 69460845) has the molecular formula C45H32N2O and a molecular weight of 616.76 g/mol. Its IUPAC name is 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine.

Molecular Properties

Compound Name3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine
PubChem CID69460845
Molecular FormulaC45H32N2O
Molecular Weight616.76 g/mol
Exact Mass616.25
IUPAC Name3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine
SMILESC(=C(/c1ccccc1)c1ccc2c(c1)Oc1cc(/C(=C\c3ccccc3)c3ccccc3)ccc1N2c1ccccn1)\c1ccccc1
InChIInChI=1S/C45H32N2O/c1-5-15-33(16-6-1)29-39(35-19-9-3-10-20-35)37-24-26-41-43(31-37)48-44-32-38(25-27-42(44)47(41)45-23-13-14-28-46-45)40(36-21-11-4-12-22-36)30-34-17-7-2-8-18-34/h1-32H/b39-29-,40-30-
InChIKeyFPNBFQHWRXDHPR-LDIFZFAOSA-N
XLogP11.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine?
The IUPAC name of 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine (CID 69460845) is 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine.
What is the SMILES notation for 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine?
The canonical SMILES for 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine is C(=C(/c1ccccc1)c1ccc2c(c1)Oc1cc(/C(=C\c3ccccc3)c3ccccc3)ccc1N2c1ccccn1)\c1ccccc1.
What is the InChIKey of 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine?
The InChIKey is FPNBFQHWRXDHPR-LDIFZFAOSA-N. The full InChI is InChI=1S/C45H32N2O/c1-5-15-33(16-6-1)29-39(35-19-9-3-10-20-35)37-24-26-41-43(31-37)48-44-32-38(25-27-42(44)47(41)45-23-13-14-28-46-45)40(36-21-11-4-12-22-36)30-34-17-7-2-8-18-34/h1-32H/b39-29-,40-30-.
What are the key properties of 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine?
3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine has a molecular weight of 616.76 g/mol, XLogP of 11.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis[(Z)-1,2-diphenylethenyl]-10-pyridin-2-ylphenoxazine is sourced from PubChem (CID 69460845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).