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

C50H33N5O — CID 153460045

IUPAC10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cnc3N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C50H33N5O/c1-5-17-34(18-6-1)40-30-29-38(31-41(40)35-19-7-2-8-20-35)39-32-42(49-53-47(36-21-9-3-10-22-36)52-48(54-49)37-23-11-4-12-24-37)50(51-33-39)55-43-25-13-15-27-45(43)56-46-28-16-14-26-44(46)55/h1-33H
InChIKeyMAHRHZYLCDCLEV-UHFFFAOYSA-N
MW719.85 g/mol
LogP12.84
Rot. Bonds7

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

10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine (PubChem CID 153460045) has the molecular formula C50H33N5O and a molecular weight of 719.85 g/mol. Its IUPAC name is 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine
PubChem CID153460045
Molecular FormulaC50H33N5O
Molecular Weight719.85 g/mol
Exact Mass719.27
IUPAC Name10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cnc3N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C50H33N5O/c1-5-17-34(18-6-1)40-30-29-38(31-41(40)35-19-7-2-8-20-35)39-32-42(49-53-47(36-21-9-3-10-22-36)52-48(54-49)37-23-11-4-12-24-37)50(51-33-39)55-43-25-13-15-27-45(43)56-46-28-16-14-26-44(46)55/h1-33H
InChIKeyMAHRHZYLCDCLEV-UHFFFAOYSA-N
XLogP12.84
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.85
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine with MolForge

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Related Compounds

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine
CID 153459557
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-9,9-dimethylacridine
CID 153460374
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole
CID 153460267
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682

Frequently Asked Questions

What is the IUPAC name of 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine?
The IUPAC name of 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine (CID 153460045) is 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine?
The canonical SMILES for 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cnc3N3c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine?
The InChIKey is MAHRHZYLCDCLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5O/c1-5-17-34(18-6-1)40-30-29-38(31-41(40)35-19-7-2-8-20-35)39-32-42(49-53-47(36-21-9-3-10-22-36)52-48(54-49)37-23-11-4-12-24-37)50(51-33-39)55-43-25-13-15-27-45(43)56-46-28-16-14-26-44(46)55/h1-33H.
What are the key properties of 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine?
10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine has a molecular weight of 719.85 g/mol, XLogP of 12.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine is sourced from PubChem (CID 153460045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).