10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine

C39H37N3O2 — CID 156533416

IUPAC10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine
SMILESCC1(C)C2=CC(N3c4ccccc4OC4=CC=CCC43)CC=C2NC2C=CC(N3C4=CC=CCC4Oc4ccccc43)=CC21
InChIInChI=1S/C39H37N3O2/c1-39(2)27-23-25(41-31-11-3-7-15-35(31)43-36-16-8-4-12-32(36)41)19-21-29(27)40-30-22-20-26(24-28(30)39)42-33-13-5-9-17-37(33)44-38-18-10-6-14-34(38)42/h3-13,15,17-19,21-24,26-27,29,34,36,40H,14,16,20H2,1-2H3
InChIKeyAUHUQFSBSVWOQB-UHFFFAOYSA-N
MW579.74 g/mol
LogP7.86
Rot. Bonds2

About 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine

10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine (PubChem CID 156533416) has the molecular formula C39H37N3O2 and a molecular weight of 579.74 g/mol. Its IUPAC name is 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine.

Molecular Properties

Compound Name10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine
PubChem CID156533416
Molecular FormulaC39H37N3O2
Molecular Weight579.74 g/mol
Exact Mass579.29
IUPAC Name10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine
SMILESCC1(C)C2=CC(N3c4ccccc4OC4=CC=CCC43)CC=C2NC2C=CC(N3C4=CC=CCC4Oc4ccccc43)=CC21
InChIInChI=1S/C39H37N3O2/c1-39(2)27-23-25(41-31-11-3-7-15-35(31)43-36-16-8-4-12-32(36)41)19-21-29(27)40-30-22-20-26(24-28(30)39)42-33-13-5-9-17-37(33)44-38-18-10-6-14-34(38)42/h3-13,15,17-19,21-24,26-27,29,34,36,40H,14,16,20H2,1-2H3
InChIKeyAUHUQFSBSVWOQB-UHFFFAOYSA-N
XLogP7.86
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine?
The IUPAC name of 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine (CID 156533416) is 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine.
What is the SMILES notation for 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine?
The canonical SMILES for 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine is CC1(C)C2=CC(N3c4ccccc4OC4=CC=CCC43)CC=C2NC2C=CC(N3C4=CC=CCC4Oc4ccccc43)=CC21.
What is the InChIKey of 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine?
The InChIKey is AUHUQFSBSVWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N3O2/c1-39(2)27-23-25(41-31-11-3-7-15-35(31)43-36-16-8-4-12-32(36)41)19-21-29(27)40-30-22-20-26(24-28(30)39)42-33-13-5-9-17-37(33)44-38-18-10-6-14-34(38)42/h3-13,15,17-19,21-24,26-27,29,34,36,40H,14,16,20H2,1-2H3.
What are the key properties of 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine?
10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine has a molecular weight of 579.74 g/mol, XLogP of 7.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine is sourced from PubChem (CID 156533416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).