10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine

C248H228N20O4 — CID 162159096

IUPAC10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine
SMILESCCCCc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(CCCC)cc5)nc(-c5ccc(CCCC)cc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ccc(CCCC)cc3)n2)cc1.CCCCc1ccc(-c2cc(-c3ccc(CCCC)cc3)nc(-c3cc(-c4nc(-c5ccc(CCCC)cc5)cc(-c5ccc(CCCC)cc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.CCCCc1ccc(-c2nc(-c3ccc(CCCC)cc3)nc(-c3cc(-c4nc(-c5ccc(CCCC)cc5)nc(-c5ccc(CCCC)cc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1
InChIInChI=1S/C68H67N3O.C66H65N5O.C64H63N7O.C50H33N5O/c1-5-9-17-48-25-33-52(34-26-48)61-44-58(45-62(69-61)53-35-27-49(28-36-53)18-10-6-2)56-41-57(43-60(42-56)71-65-21-13-15-23-67(65)72-68-24-16-14-22-66(68)71)59-46-63(54-37-29-50(30-38-54)19-11-7-3)70-64(47-59)55-39-31-51(32-40-55)20-12-8-4;1-5-9-17-46-25-33-50(34-26-46)57-44-58(51-35-27-47(28-36-51)18-10-6-2)68-65(67-57)54-41-55(43-56(42-54)71-61-21-13-15-23-63(61)72-64-24-16-14-22-62(64)71)66-69-59(52-37-29-48(30-38-52)19-11-7-3)45-60(70-66)53-39-31-49(32-40-53)20-12-8-4;1-5-9-17-44-25-33-48(34-26-44)59-65-60(49-35-27-45(28-36-49)18-10-6-2)68-63(67-59)52-41-53(43-54(42-52)71-55-21-13-15-23-57(55)72-58-24-16-14-22-56(58)71)64-69-61(50-37-29-46(30-38-50)19-11-7-3)66-62(70-64)51-39-31-47(32-40-51)20-12-8-4;1-3-7-49-47(5-1)55(48-6-2-4-8-50(48)56-49)46-32-44(42-27-38(34-9-17-51-18-10-34)25-39(28-42)35-11-19-52-20-12-35)31-45(33-46)43-29-40(36-13-21-53-22-14-36)26-41(30-43)37-15-23-54-24-16-37/h13-16,21-47H,5-12,17-20H2,1-4H3;13-16,21-45H,5-12,17-20H2,1-4H3;13-16,21-43H,5-12,17-20H2,1-4H3;1-33H
InChIKeyZMFPTFPXLQMCNI-UHFFFAOYSA-N
MW3552.69 g/mol
LogP67.49
Rot. Bonds64

About 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine

10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine (PubChem CID 162159096) has the molecular formula C248H228N20O4 and a molecular weight of 3552.69 g/mol. Its IUPAC name is 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine
PubChem CID162159096
Molecular FormulaC248H228N20O4
Molecular Weight3552.69 g/mol
Exact Mass3549.83
IUPAC Name10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine
SMILESCCCCc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(CCCC)cc5)nc(-c5ccc(CCCC)cc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ccc(CCCC)cc3)n2)cc1.CCCCc1ccc(-c2cc(-c3ccc(CCCC)cc3)nc(-c3cc(-c4nc(-c5ccc(CCCC)cc5)cc(-c5ccc(CCCC)cc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.CCCCc1ccc(-c2nc(-c3ccc(CCCC)cc3)nc(-c3cc(-c4nc(-c5ccc(CCCC)cc5)nc(-c5ccc(CCCC)cc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1
InChIInChI=1S/C68H67N3O.C66H65N5O.C64H63N7O.C50H33N5O/c1-5-9-17-48-25-33-52(34-26-48)61-44-58(45-62(69-61)53-35-27-49(28-36-53)18-10-6-2)56-41-57(43-60(42-56)71-65-21-13-15-23-67(65)72-68-24-16-14-22-66(68)71)59-46-63(54-37-29-50(30-38-54)19-11-7-3)70-64(47-59)55-39-31-51(32-40-55)20-12-8-4;1-5-9-17-46-25-33-50(34-26-46)57-44-58(51-35-27-47(28-36-51)18-10-6-2)68-65(67-57)54-41-55(43-56(42-54)71-61-21-13-15-23-63(61)72-64-24-16-14-22-62(64)71)66-69-59(52-37-29-48(30-38-52)19-11-7-3)45-60(70-66)53-39-31-49(32-40-53)20-12-8-4;1-5-9-17-44-25-33-48(34-26-44)59-65-60(49-35-27-45(28-36-49)18-10-6-2)68-63(67-59)52-41-53(43-54(42-52)71-55-21-13-15-23-57(55)72-58-24-16-14-22-56(58)71)64-69-61(50-37-29-46(30-38-50)19-11-7-3)66-62(70-64)51-39-31-47(32-40-51)20-12-8-4;1-3-7-49-47(5-1)55(48-6-2-4-8-50(48)56-49)46-32-44(42-27-38(34-9-17-51-18-10-34)25-39(28-42)35-11-19-52-20-12-35)31-45(33-46)43-29-40(36-13-21-53-22-14-36)26-41(30-43)37-15-23-54-24-16-37/h13-16,21-47H,5-12,17-20H2,1-4H3;13-16,21-45H,5-12,17-20H2,1-4H3;13-16,21-43H,5-12,17-20H2,1-4H3;1-33H
InChIKeyZMFPTFPXLQMCNI-UHFFFAOYSA-N
XLogP67.49
TPSA256.12 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds64
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003552.69
LogP ≤ 567.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine with MolForge

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Related Compounds

10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine
CID 123712674
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-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
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
10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine
CID 58251251
10-[3,5-bis(3-butyl-5-methylphenyl)phenyl]phenoxazine
CID 58251245
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
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 159416067
10-[3,5-bis[3,5-bis(6-butylpyridazin-3-yl)phenyl]phenyl]phenoxazine
CID 58251250
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine
CID 154950145

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine (CID 162159096) is 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine is CCCCc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(CCCC)cc5)nc(-c5ccc(CCCC)cc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ccc(CCCC)cc3)n2)cc1.CCCCc1ccc(-c2cc(-c3ccc(CCCC)cc3)nc(-c3cc(-c4nc(-c5ccc(CCCC)cc5)cc(-c5ccc(CCCC)cc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.CCCCc1ccc(-c2nc(-c3ccc(CCCC)cc3)nc(-c3cc(-c4nc(-c5ccc(CCCC)cc5)nc(-c5ccc(CCCC)cc5)n4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1.
What is the InChIKey of 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine?
The InChIKey is ZMFPTFPXLQMCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H67N3O.C66H65N5O.C64H63N7O.C50H33N5O/c1-5-9-17-48-25-33-52(34-26-48)61-44-58(45-62(69-61)53-35-27-49(28-36-53)18-10-6-2)56-41-57(43-60(42-56)71-65-21-13-15-23-67(65)72-68-24-16-14-22-66(68)71)59-46-63(54-37-29-50(30-38-54)19-11-7-3)70-64(47-59)55-39-31-51(32-40-55)20-12-8-4;1-5-9-17-46-25-33-50(34-26-46)57-44-58(51-35-27-47(28-36-51)18-10-6-2)68-65(67-57)54-41-55(43-56(42-54)71-61-21-13-15-23-63(61)72-64-24-16-14-22-62(64)71)66-69-59(52-37-29-48(30-38-52)19-11-7-3)45-60(70-66)53-39-31-49(32-40-53)20-12-8-4;1-5-9-17-44-25-33-48(34-26-44)59-65-60(49-35-27-45(28-36-49)18-10-6-2)68-63(67-59)52-41-53(43-54(42-52)71-55-21-13-15-23-57(55)72-58-24-16-14-22-56(58)71)64-69-61(50-37-29-46(30-38-50)19-11-7-3)66-62(70-64)51-39-31-47(32-40-51)20-12-8-4;1-3-7-49-47(5-1)55(48-6-2-4-8-50(48)56-49)46-32-44(42-27-38(34-9-17-51-18-10-34)25-39(28-42)35-11-19-52-20-12-35)31-45(33-46)43-29-40(36-13-21-53-22-14-36)26-41(30-43)37-15-23-54-24-16-37/h13-16,21-47H,5-12,17-20H2,1-4H3;13-16,21-45H,5-12,17-20H2,1-4H3;13-16,21-43H,5-12,17-20H2,1-4H3;1-33H.
What are the key properties of 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine?
10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine has a molecular weight of 3552.69 g/mol, XLogP of 67.49, 64 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis[2,6-bis(4-butylphenyl)-4-pyridinyl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[3,5-bis[4,6-bis(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 162159096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).