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

C51H33N5O2 — CID 118528387

IUPAC10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C51H33N5O2/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50-52-49(36-17-5-2-6-18-36)53-51(54-50)38-31-39(55-41-19-7-11-23-45(41)57-46-24-12-8-20-42(46)55)33-40(32-38)56-43-21-9-13-25-47(43)58-48-26-14-10-22-44(48)56/h1-33H
InChIKeyRSSBAVFTNGZCSR-UHFFFAOYSA-N
MW747.86 g/mol
LogP13.69
Rot. Bonds6

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

10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 118528387) has the molecular formula C51H33N5O2 and a molecular weight of 747.86 g/mol. Its IUPAC name is 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID118528387
Molecular FormulaC51H33N5O2
Molecular Weight747.86 g/mol
Exact Mass747.26
IUPAC Name10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C51H33N5O2/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50-52-49(36-17-5-2-6-18-36)53-51(54-50)38-31-39(55-41-19-7-11-23-45(41)57-46-24-12-8-20-42(46)55)33-40(32-38)56-43-21-9-13-25-47(43)58-48-26-14-10-22-44(48)56/h1-33H
InChIKeyRSSBAVFTNGZCSR-UHFFFAOYSA-N
XLogP13.69
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.86
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 118528387) is 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)n3)cc2)cc1.
What is the InChIKey of 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is RSSBAVFTNGZCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O2/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50-52-49(36-17-5-2-6-18-36)53-51(54-50)38-31-39(55-41-19-7-11-23-45(41)57-46-24-12-8-20-42(46)55)33-40(32-38)56-43-21-9-13-25-47(43)58-48-26-14-10-22-44(48)56/h1-33H.
What are the key properties of 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 747.86 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).