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

C184H112N32O6 — CID 157125429

IUPAC10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1
InChIInChI=1S/2C62H38N10O2.C60H36N12O2/c1-5-25-57-52(21-1)71(53-22-2-6-26-58(53)73-57)40-35-41-42(56(36-40)72-54-23-3-7-27-59(54)74-60-28-8-4-24-55(60)72)33-39(61-67-48(44-17-9-13-29-63-44)37-49(68-61)45-18-10-14-30-64-45)34-43(41)62-69-50(46-19-11-15-31-65-46)38-51(70-62)47-20-12-16-32-66-47;1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72)31-41(61-67-48(39-15-13-27-63-37-39)35-50(69-61)46-17-9-11-29-65-46)32-45(43)62-68-49(40-16-14-28-64-38-40)36-51(70-62)47-18-10-12-30-66-47;1-5-23-51-46(19-1)71(47-20-2-6-24-52(47)73-51)40-33-41-42(50(34-40)72-48-21-3-7-25-53(48)74-54-26-8-4-22-49(54)72)31-39(57-65-55(37-15-13-27-61-35-37)67-59(69-57)44-17-9-11-29-63-44)32-43(41)58-66-56(38-16-14-28-62-36-38)68-60(70-58)45-18-10-12-30-64-45/h2*1-38H;1-36H
InChIKeyAILLPCLQSDNCMI-UHFFFAOYSA-N
MW2867.14 g/mol
LogP44.25
Rot. Bonds24

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

10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 157125429) has the molecular formula C184H112N32O6 and a molecular weight of 2867.14 g/mol. Its IUPAC name is 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
PubChem CID157125429
Molecular FormulaC184H112N32O6
Molecular Weight2867.14 g/mol
Exact Mass2864.94
IUPAC Name10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1
InChIInChI=1S/2C62H38N10O2.C60H36N12O2/c1-5-25-57-52(21-1)71(53-22-2-6-26-58(53)73-57)40-35-41-42(56(36-40)72-54-23-3-7-27-59(54)74-60-28-8-4-24-55(60)72)33-39(61-67-48(44-17-9-13-29-63-44)37-49(68-61)45-18-10-14-30-64-45)34-43(41)62-69-50(46-19-11-15-31-65-46)38-51(70-62)47-20-12-16-32-66-47;1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72)31-41(61-67-48(39-15-13-27-63-37-39)35-50(69-61)46-17-9-11-29-65-46)32-45(43)62-68-49(40-16-14-28-64-38-40)36-51(70-62)47-18-10-12-30-66-47;1-5-23-51-46(19-1)71(47-20-2-6-24-52(47)73-51)40-33-41-42(50(34-40)72-48-21-3-7-25-53(48)74-54-26-8-4-22-49(54)72)31-39(57-65-55(37-15-13-27-61-35-37)67-59(69-57)44-17-9-11-29-63-44)32-43(41)58-66-56(38-16-14-28-62-36-38)68-60(70-58)45-18-10-12-30-64-45/h2*1-38H;1-36H
InChIKeyAILLPCLQSDNCMI-UHFFFAOYSA-N
XLogP44.25
TPSA409.96 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002867.14
LogP ≤ 544.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-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(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (CID 157125429) is 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.
What is the InChIKey of 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is AILLPCLQSDNCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H38N10O2.C60H36N12O2/c1-5-25-57-52(21-1)71(53-22-2-6-26-58(53)73-57)40-35-41-42(56(36-40)72-54-23-3-7-27-59(54)74-60-28-8-4-24-55(60)72)33-39(61-67-48(44-17-9-13-29-63-44)37-49(68-61)45-18-10-14-30-64-45)34-43(41)62-69-50(46-19-11-15-31-65-46)38-51(70-62)47-20-12-16-32-66-47;1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72)31-41(61-67-48(39-15-13-27-63-37-39)35-50(69-61)46-17-9-11-29-65-46)32-45(43)62-68-49(40-16-14-28-64-38-40)36-51(70-62)47-18-10-12-30-66-47;1-5-23-51-46(19-1)71(47-20-2-6-24-52(47)73-51)40-33-41-42(50(34-40)72-48-21-3-7-25-53(48)74-54-26-8-4-22-49(54)72)31-39(57-65-55(37-15-13-27-61-35-37)67-59(69-57)44-17-9-11-29-63-44)32-43(41)58-66-56(38-16-14-28-62-36-38)68-60(70-58)45-18-10-12-30-64-45/h2*1-38H;1-36H.
What are the key properties of 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 2867.14 g/mol, XLogP of 44.25, 24 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 157125429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).