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

C48H31N7O — CID 58251183

IUPAC10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C48H31N7O/c1-5-17-32(18-6-1)43-49-44(33-19-7-2-8-20-33)52-47(51-43)36-29-37(31-38(30-36)55-39-25-13-15-27-41(39)56-42-28-16-14-26-40(42)55)48-53-45(34-21-9-3-10-22-34)50-46(54-48)35-23-11-4-12-24-35/h1-31H
InChIKeyQTFHUTIVLRSKSN-UHFFFAOYSA-N
MW721.82 g/mol
LogP11.63
Rot. Bonds7

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

10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (PubChem CID 58251183) has the molecular formula C48H31N7O and a molecular weight of 721.82 g/mol. Its IUPAC name is 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
PubChem CID58251183
Molecular FormulaC48H31N7O
Molecular Weight721.82 g/mol
Exact Mass721.26
IUPAC Name10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C48H31N7O/c1-5-17-32(18-6-1)43-49-44(33-19-7-2-8-20-33)52-47(51-43)36-29-37(31-38(30-36)55-39-25-13-15-27-41(39)56-42-28-16-14-26-40(42)55)48-53-45(34-21-9-3-10-22-34)50-46(54-48)35-23-11-4-12-24-35/h1-31H
InChIKeyQTFHUTIVLRSKSN-UHFFFAOYSA-N
XLogP11.63
TPSA89.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.82
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Phenoxazine-2,4,6-triphenyl-1,3,5-triazine
CID 102311758
2-(10H-Phenoxazine-10-yl)-4,6-diphenyl-1,3,5-triazine
CID 59194549
10-[4-(4,5-Diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine
CID 102430159
2Pxz-taz
CID 102430160
10-[6,8-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290744
10-[3-(2,6-Diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291584
10-[3-[3-(2,6-Diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
CID 129291650
10-[3-(4,6-Diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291655
10-[3-[3-(2,6-Diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291667
2-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline
CID 134223925
2-[3-(2,6-Diphenylpyrimidin-4-yl)phenyl]-8-phenylmethoxyquinoline
CID 134224087
10-[4-[4,6-Bis(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 160657212

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (CID 58251183) is 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.
What is the InChIKey of 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The InChIKey is QTFHUTIVLRSKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7O/c1-5-17-32(18-6-1)43-49-44(33-19-7-2-8-20-33)52-47(51-43)36-29-37(31-38(30-36)55-39-25-13-15-27-41(39)56-42-28-16-14-26-40(42)55)48-53-45(34-21-9-3-10-22-34)50-46(54-48)35-23-11-4-12-24-35/h1-31H.
What are the key properties of 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine has a molecular weight of 721.82 g/mol, XLogP of 11.63, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 58251183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).