12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine

C30H22N2O2 — CID 155421136

IUPAC12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine
SMILESCN1c2ccccc2Oc2ccc(-c3ccc4cc5c(cc4c3)N(C)c3ccccc3O5)cc21
InChIInChI=1S/C30H22N2O2/c1-31-23-7-3-5-9-27(23)33-29-14-13-20(16-25(29)31)19-11-12-21-18-30-26(17-22(21)15-19)32(2)24-8-4-6-10-28(24)34-30/h3-18H,1-2H3
InChIKeyHFWVUMYHGHGMMS-UHFFFAOYSA-N
MW442.52 g/mol
LogP8.25
Rot. Bonds1

About 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine

12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine (PubChem CID 155421136) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine.

Molecular Properties

Compound Name12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine
PubChem CID155421136
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine
SMILESCN1c2ccccc2Oc2ccc(-c3ccc4cc5c(cc4c3)N(C)c3ccccc3O5)cc21
InChIInChI=1S/C30H22N2O2/c1-31-23-7-3-5-9-27(23)33-29-14-13-20(16-25(29)31)19-11-12-21-18-30-26(17-22(21)15-19)32(2)24-8-4-6-10-28(24)34-30/h3-18H,1-2H3
InChIKeyHFWVUMYHGHGMMS-UHFFFAOYSA-N
XLogP8.25
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine?
The IUPAC name of 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine (CID 155421136) is 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine.
What is the SMILES notation for 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine?
The canonical SMILES for 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine is CN1c2ccccc2Oc2ccc(-c3ccc4cc5c(cc4c3)N(C)c3ccccc3O5)cc21.
What is the InChIKey of 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine?
The InChIKey is HFWVUMYHGHGMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c1-31-23-7-3-5-9-27(23)33-29-14-13-20(16-25(29)31)19-11-12-21-18-30-26(17-22(21)15-19)32(2)24-8-4-6-10-28(24)34-30/h3-18H,1-2H3.
What are the key properties of 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine?
12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine has a molecular weight of 442.52 g/mol, XLogP of 8.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine is sourced from PubChem (CID 155421136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).