10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine

C30H22N2O2 — CID 163464448

IUPAC10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine
SMILESC=CC1=C(C=C)N(c2ccccc2N2c3ccccc3Oc3ccccc32)c2ccccc2O1
InChIInChI=1S/C30H22N2O2/c1-3-21-27(4-2)33-28-18-10-7-15-24(28)31(21)22-13-5-6-14-23(22)32-25-16-8-11-19-29(25)34-30-20-12-9-17-26(30)32/h3-20H,1-2H2
InChIKeyBRIROSDQAIJWER-UHFFFAOYSA-N
MW442.52 g/mol
LogP8.38
Rot. Bonds4

About 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine

10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine (PubChem CID 163464448) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine
PubChem CID163464448
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine
SMILESC=CC1=C(C=C)N(c2ccccc2N2c3ccccc3Oc3ccccc32)c2ccccc2O1
InChIInChI=1S/C30H22N2O2/c1-3-21-27(4-2)33-28-18-10-7-15-24(28)31(21)22-13-5-6-14-23(22)32-25-16-8-11-19-29(25)34-30-20-12-9-17-26(30)32/h3-20H,1-2H2
InChIKeyBRIROSDQAIJWER-UHFFFAOYSA-N
XLogP8.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine?
The IUPAC name of 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine (CID 163464448) is 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine is C=CC1=C(C=C)N(c2ccccc2N2c3ccccc3Oc3ccccc32)c2ccccc2O1.
What is the InChIKey of 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine?
The InChIKey is BRIROSDQAIJWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c1-3-21-27(4-2)33-28-18-10-7-15-24(28)31(21)22-13-5-6-14-23(22)32-25-16-8-11-19-29(25)34-30-20-12-9-17-26(30)32/h3-20H,1-2H2.
What are the key properties of 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine?
10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine has a molecular weight of 442.52 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine is sourced from PubChem (CID 163464448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).