10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine

C68H44N6O2 — CID 129291584

IUPAC10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C68H44N6O2/c1-5-21-45(22-6-1)55-43-57(71-67(69-55)47-25-9-3-10-26-47)53-41-49(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)37-39-51(53)52-40-38-50(74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74)42-54(52)58-44-56(46-23-7-2-8-24-46)70-68(72-58)48-27-11-4-12-28-48/h1-44H
InChIKeyBLODGDZJWWCYRN-UHFFFAOYSA-N
MW977.14 g/mol
LogP18.09
Rot. Bonds9

About 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine

10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine (PubChem CID 129291584) has the molecular formula C68H44N6O2 and a molecular weight of 977.14 g/mol. Its IUPAC name is 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine
PubChem CID129291584
Molecular FormulaC68H44N6O2
Molecular Weight977.14 g/mol
Exact Mass976.35
IUPAC Name10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C68H44N6O2/c1-5-21-45(22-6-1)55-43-57(71-67(69-55)47-25-9-3-10-26-47)53-41-49(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)37-39-51(53)52-40-38-50(74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74)42-54(52)58-44-56(46-23-7-2-8-24-46)70-68(72-58)48-27-11-4-12-28-48/h1-44H
InChIKeyBLODGDZJWWCYRN-UHFFFAOYSA-N
XLogP18.09
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.14
LogP ≤ 518.09
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
4-[2-(2,3-Dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine
CID 46873814
10-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]phenoxazine;dichloromethane
CID 168341575
10-[5,7-Bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290704
10-[6,8-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290744
10-[6,8-Bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290751
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
10-[3-[3,5-Bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129291692
2-[3-(2,6-Diphenylpyrimidin-4-yl)phenyl]-8-phenylmethoxyquinoline
CID 134224087

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine (CID 129291584) is 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine is c1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The InChIKey is BLODGDZJWWCYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N6O2/c1-5-21-45(22-6-1)55-43-57(71-67(69-55)47-25-9-3-10-26-47)53-41-49(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)37-39-51(53)52-40-38-50(74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74)42-54(52)58-44-56(46-23-7-2-8-24-46)70-68(72-58)48-27-11-4-12-28-48/h1-44H.
What are the key properties of 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine has a molecular weight of 977.14 g/mol, XLogP of 18.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2,6-diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine is sourced from PubChem (CID 129291584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).