3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine

C54H39N5O — CID 134579019

IUPAC3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
SMILESCC1(C)c2cc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)ccc2N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C54H39N5O/c1-54(2)43-33-38(39-28-32-48-50(35-39)60-49-26-16-15-25-47(49)59(48)42-23-13-6-14-24-42)27-30-45(43)58(41-21-11-5-12-22-41)46-31-29-40(34-44(46)54)53-56-51(36-17-7-3-8-18-36)55-52(57-53)37-19-9-4-10-20-37/h3-35H,1-2H3
InChIKeyTWGURLDYZQIMJV-UHFFFAOYSA-N
MW773.94 g/mol
LogP14.22
Rot. Bonds6

About 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine

3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine (PubChem CID 134579019) has the molecular formula C54H39N5O and a molecular weight of 773.94 g/mol. Its IUPAC name is 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine.

Molecular Properties

Compound Name3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
PubChem CID134579019
Molecular FormulaC54H39N5O
Molecular Weight773.94 g/mol
Exact Mass773.32
IUPAC Name3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
SMILESCC1(C)c2cc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)ccc2N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C54H39N5O/c1-54(2)43-33-38(39-28-32-48-50(35-39)60-49-26-16-15-25-47(49)59(48)42-23-13-6-14-24-42)27-30-45(43)58(41-21-11-5-12-22-41)46-31-29-40(34-44(46)54)53-56-51(36-17-7-3-8-18-36)55-52(57-53)37-19-9-4-10-20-37/h3-35H,1-2H3
InChIKeyTWGURLDYZQIMJV-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

Analyze 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 134578950
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 168802896
10-[8-(2,6-diphenyl-4-pyridinyl)dibenzo-p-dioxin-2-yl]-9,9-dimethylacridine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-9,9-dimethylacridine;5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-9,9-dimethyl-10-phenylacridine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]phenothiazine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]phenoxazine;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-10-phenylphenoxazine
CID 158258534
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine?
The IUPAC name of 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine (CID 134579019) is 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine.
What is the SMILES notation for 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine?
The canonical SMILES for 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine is CC1(C)c2cc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)ccc2N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine?
The InChIKey is TWGURLDYZQIMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N5O/c1-54(2)43-33-38(39-28-32-48-50(35-39)60-49-26-16-15-25-47(49)59(48)42-23-13-6-14-24-42)27-30-45(43)58(41-21-11-5-12-22-41)46-31-29-40(34-44(46)54)53-56-51(36-17-7-3-8-18-36)55-52(57-53)37-19-9-4-10-20-37/h3-35H,1-2H3.
What are the key properties of 3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine?
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine 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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine is sourced from PubChem (CID 134579019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).