10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine

C39H33N3O2 — CID 155221847

IUPAC10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine
SMILESCC1(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc2Nc2ccc(N3C4=C(C=CCC4)OC4=CC=CCC43)cc21
InChIInChI=1S/C39H33N3O2/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/h3-5,7-12,15-24,33,40H,6,13-14H2,1-2H3
InChIKeyMMVYUTNCAROLEW-UHFFFAOYSA-N
MW575.71 g/mol
LogP10.26
Rot. Bonds2

About 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine

10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine (PubChem CID 155221847) has the molecular formula C39H33N3O2 and a molecular weight of 575.71 g/mol. Its IUPAC name is 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine
PubChem CID155221847
Molecular FormulaC39H33N3O2
Molecular Weight575.71 g/mol
Exact Mass575.26
IUPAC Name10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine
SMILESCC1(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc2Nc2ccc(N3C4=C(C=CCC4)OC4=CC=CCC43)cc21
InChIInChI=1S/C39H33N3O2/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/h3-5,7-12,15-24,33,40H,6,13-14H2,1-2H3
InChIKeyMMVYUTNCAROLEW-UHFFFAOYSA-N
XLogP10.26
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine?
The IUPAC name of 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine (CID 155221847) is 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine.
What is the SMILES notation for 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine?
The canonical SMILES for 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine is CC1(C)c2cc(N3c4ccccc4Oc4ccccc43)ccc2Nc2ccc(N3C4=C(C=CCC4)OC4=CC=CCC43)cc21.
What is the InChIKey of 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine?
The InChIKey is MMVYUTNCAROLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N3O2/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/h3-5,7-12,15-24,33,40H,6,13-14H2,1-2H3.
What are the key properties of 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine?
10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine has a molecular weight of 575.71 g/mol, XLogP of 10.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(1,2,9,9a-tetrahydrophenoxazin-10-yl)-9,9-dimethyl-10H-acridin-2-yl]phenoxazine is sourced from PubChem (CID 155221847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).