10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine

C166H102N26O6 — CID 158562993

IUPAC10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccn3)n2)nc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)c2cc(-c3ncncn3)cc(-c3ncncn3)c2c1
InChIInChI=1S/C66H42N6O2.C60H36N12O2.C40H24N8O2/c1-5-21-43(22-6-1)52-41-54(69-65(67-52)45-25-9-3-10-26-45)47-37-50(55-42-53(44-23-7-2-8-24-44)68-66(70-55)46-27-11-4-12-28-46)49-39-48(71-56-29-13-17-33-61(56)73-62-34-18-14-30-57(62)71)40-60(51(49)38-47)72-58-31-15-19-35-63(58)74-64-36-20-16-32-59(64)72;1-5-25-51-46(21-1)71(47-22-2-6-26-52(47)73-51)38-35-39-40(50(36-38)72-48-23-3-7-27-53(48)74-54-28-8-4-24-49(54)72)33-37(55-65-57(42-17-9-13-29-61-42)69-58(66-55)43-18-10-14-30-62-43)34-41(39)56-67-59(44-19-11-15-31-63-44)70-60(68-56)45-20-12-16-32-64-45;1-5-13-35-30(9-1)47(31-10-2-6-14-36(31)49-35)26-19-27-28(17-25(39-43-21-41-22-44-39)18-29(27)40-45-23-42-24-46-40)34(20-26)48-32-11-3-7-15-37(32)50-38-16-8-4-12-33(38)48/h1-42H;1-36H;1-24H
InChIKeyHRCSLEXOANTFDY-UHFFFAOYSA-N
MW2556.82 g/mol
LogP41.21
Rot. Bonds20

About 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine

10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 158562993) has the molecular formula C166H102N26O6 and a molecular weight of 2556.82 g/mol. Its IUPAC name is 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
PubChem CID158562993
Molecular FormulaC166H102N26O6
Molecular Weight2556.82 g/mol
Exact Mass2554.85
IUPAC Name10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccn3)n2)nc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)c2cc(-c3ncncn3)cc(-c3ncncn3)c2c1
InChIInChI=1S/C66H42N6O2.C60H36N12O2.C40H24N8O2/c1-5-21-43(22-6-1)52-41-54(69-65(67-52)45-25-9-3-10-26-45)47-37-50(55-42-53(44-23-7-2-8-24-44)68-66(70-55)46-27-11-4-12-28-46)49-39-48(71-56-29-13-17-33-61(56)73-62-34-18-14-30-57(62)71)40-60(51(49)38-47)72-58-31-15-19-35-63(58)74-64-36-20-16-32-59(64)72;1-5-25-51-46(21-1)71(47-22-2-6-26-52(47)73-51)38-35-39-40(50(36-38)72-48-23-3-7-27-53(48)74-54-28-8-4-24-49(54)72)33-37(55-65-57(42-17-9-13-29-61-42)69-58(66-55)43-18-10-14-30-62-43)34-41(39)56-67-59(44-19-11-15-31-63-44)70-60(68-56)45-20-12-16-32-64-45;1-5-13-35-30(9-1)47(31-10-2-6-14-36(31)49-35)26-19-27-28(17-25(39-43-21-41-22-44-39)18-29(27)40-45-23-42-24-46-40)34(20-26)48-32-11-3-7-15-37(32)50-38-16-8-4-12-33(38)48/h1-42H;1-36H;1-24H
InChIKeyHRCSLEXOANTFDY-UHFFFAOYSA-N
XLogP41.21
TPSA332.62 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002556.82
LogP ≤ 541.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (CID 158562993) is 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccn3)n2)nc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)c2cc(-c3ncncn3)cc(-c3ncncn3)c2c1.
What is the InChIKey of 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is HRCSLEXOANTFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N6O2.C60H36N12O2.C40H24N8O2/c1-5-21-43(22-6-1)52-41-54(69-65(67-52)45-25-9-3-10-26-45)47-37-50(55-42-53(44-23-7-2-8-24-44)68-66(70-55)46-27-11-4-12-28-46)49-39-48(71-56-29-13-17-33-61(56)73-62-34-18-14-30-57(62)71)40-60(51(49)38-47)72-58-31-15-19-35-63(58)74-64-36-20-16-32-59(64)72;1-5-25-51-46(21-1)71(47-22-2-6-26-52(47)73-51)38-35-39-40(50(36-38)72-48-23-3-7-27-53(48)74-54-28-8-4-24-49(54)72)33-37(55-65-57(42-17-9-13-29-61-42)69-58(66-55)43-18-10-14-30-62-43)34-41(39)56-67-59(44-19-11-15-31-63-44)70-60(68-56)45-20-12-16-32-64-45;1-5-13-35-30(9-1)47(31-10-2-6-14-36(31)49-35)26-19-27-28(17-25(39-43-21-41-22-44-39)18-29(27)40-45-23-42-24-46-40)34(20-26)48-32-11-3-7-15-37(32)50-38-16-8-4-12-33(38)48/h1-42H;1-36H;1-24H.
What are the key properties of 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 2556.82 g/mol, XLogP of 41.21, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5,7-bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 158562993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).