3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine

C54H39N5O — CID 118528363

IUPAC3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C54H39N5O/c1-54(2)43-22-12-13-23-45(43)58(41-20-10-5-11-21-41)46-32-28-39(34-44(46)54)40-29-33-48-50(35-40)60-49-25-15-14-24-47(49)59(48)42-30-26-38(27-31-42)53-56-51(36-16-6-3-7-17-36)55-52(57-53)37-18-8-4-9-19-37/h3-35H,1-2H3
InChIKeyOYMKDVZBGAUVRX-UHFFFAOYSA-N
MW773.94 g/mol
LogP14.22
Rot. Bonds6

About 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine

3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (PubChem CID 118528363) has the molecular formula C54H39N5O and a molecular weight of 773.94 g/mol. Its IUPAC name is 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
PubChem CID118528363
Molecular FormulaC54H39N5O
Molecular Weight773.94 g/mol
Exact Mass773.32
IUPAC Name3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C54H39N5O/c1-54(2)43-22-12-13-23-45(43)58(41-20-10-5-11-21-41)46-32-28-39(34-44(46)54)40-29-33-48-50(35-40)60-49-25-15-14-24-47(49)59(48)42-30-26-38(27-31-42)53-56-51(36-16-6-3-7-17-36)55-52(57-53)37-18-8-4-9-19-37/h3-35H,1-2H3
InChIKeyOYMKDVZBGAUVRX-UHFFFAOYSA-N
XLogP14.22
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The IUPAC name of 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (CID 118528363) is 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21.
What is the InChIKey of 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The InChIKey is OYMKDVZBGAUVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N5O/c1-54(2)43-22-12-13-23-45(43)58(41-20-10-5-11-21-41)46-32-28-39(34-44(46)54)40-29-33-48-50(35-40)60-49-25-15-14-24-47(49)59(48)42-30-26-38(27-31-42)53-56-51(36-16-6-3-7-17-36)55-52(57-53)37-18-8-4-9-19-37/h3-35H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine has a molecular weight of 773.94 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 118528363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).