10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine

C36H24N4O — CID 159063020

IUPAC10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3ncc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cn3c2-c2ccccc2)cc1
InChIInChI=1S/C36H24N4O/c1-3-11-26(12-4-1)34-35(27-13-5-2-6-14-27)39-24-28(23-37-36(39)38-34)25-19-21-29(22-20-25)40-30-15-7-9-17-32(30)41-33-18-10-8-16-31(33)40/h1-24H
InChIKeyZENPATXQOMUMTG-UHFFFAOYSA-N
MW528.62 g/mol
LogP9.31
Rot. Bonds4

About 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine

10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine (PubChem CID 159063020) has the molecular formula C36H24N4O and a molecular weight of 528.62 g/mol. Its IUPAC name is 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine
PubChem CID159063020
Molecular FormulaC36H24N4O
Molecular Weight528.62 g/mol
Exact Mass528.20
IUPAC Name10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3ncc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cn3c2-c2ccccc2)cc1
InChIInChI=1S/C36H24N4O/c1-3-11-26(12-4-1)34-35(27-13-5-2-6-14-27)39-24-28(23-37-36(39)38-34)25-19-21-29(22-20-25)40-30-15-7-9-17-32(30)41-33-18-10-8-16-31(33)40/h1-24H
InChIKeyZENPATXQOMUMTG-UHFFFAOYSA-N
XLogP9.31
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenoxazine
CID 159381502
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
CID 161395332
10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
CID 129037655
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 162149861
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
5-(2,3-diphenylimidazo[1,2-a]pyridin-6-yl)-10-phenylphenazine
CID 159803089
9-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)carbazole
CID 160731733
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-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine (CID 159063020) is 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine is c1ccc(-c2nc3ncc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cn3c2-c2ccccc2)cc1.
What is the InChIKey of 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine?
The InChIKey is ZENPATXQOMUMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4O/c1-3-11-26(12-4-1)34-35(27-13-5-2-6-14-27)39-24-28(23-37-36(39)38-34)25-19-21-29(22-20-25)40-30-15-7-9-17-32(30)41-33-18-10-8-16-31(33)40/h1-24H.
What are the key properties of 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine?
10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine has a molecular weight of 528.62 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine is sourced from PubChem (CID 159063020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).