10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine

C186H114N30O3S3 — CID 157098340

IUPAC10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)nc(-c3cccnc3)n2)nc1.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1
InChIInChI=1S/3C62H38N10OS/c1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(49-36-51(47-18-10-12-30-66-47)70-62(68-49)40-16-14-28-64-38-40)31-41(48-35-50(46-17-9-11-29-65-46)69-61(67-48)39-15-13-27-63-37-39)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72;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;1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(51-36-49(40-16-14-28-64-38-40)68-62(70-51)47-18-10-12-30-66-47)31-41(50-35-48(39-15-13-27-63-37-39)67-61(69-50)46-17-9-11-29-65-46)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72/h3*1-38H
InChIKeyAFLVZIJKOXVIJC-UHFFFAOYSA-N
MW2913.37 g/mol
LogP46.54
Rot. Bonds24

About 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine

10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine (PubChem CID 157098340) has the molecular formula C186H114N30O3S3 and a molecular weight of 2913.37 g/mol. Its IUPAC name is 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine
PubChem CID157098340
Molecular FormulaC186H114N30O3S3
Molecular Weight2913.37 g/mol
Exact Mass2910.89
IUPAC Name10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)nc(-c3cccnc3)n2)nc1.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1
InChIInChI=1S/3C62H38N10OS/c1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(49-36-51(47-18-10-12-30-66-47)70-62(68-49)40-16-14-28-64-38-40)31-41(48-35-50(46-17-9-11-29-65-46)69-61(67-48)39-15-13-27-63-37-39)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72;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;1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(51-36-49(40-16-14-28-64-38-40)68-62(70-51)47-18-10-12-30-66-47)31-41(50-35-48(39-15-13-27-63-37-39)67-61(69-50)46-17-9-11-29-65-46)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72/h3*1-38H
InChIKeyAFLVZIJKOXVIJC-UHFFFAOYSA-N
XLogP46.54
TPSA356.49 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002913.37
LogP ≤ 546.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine with MolForge

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Related Compounds

9-[4-Carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine
CID 159440060
10-[3,5-Bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine
CID 58251205
10-[3,5-Bis[3,5-di(pyrimidin-2-yl)phenyl]phenyl]phenoxazine
CID 58251210
10-(4-Benzo[c]carbazol-7-yl-6-pyridin-2-ylpyrimidin-2-yl)phenoxazine
CID 117672890
10-[4-[5-(1,10-Phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine
CID 117862729
10-[3-Phenothiazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 118528543
10-[3-Phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
10-[2-[2,4-Di(quinazolin-5-yl)phenyl]phenyl]phenoxazine
CID 122430932
10-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-4-[4-[2-(3-phenothiazin-10-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenoxazine
CID 123667916
10-[5-Phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290635
10-[5-Phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290644
10-[5-Phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290649

Frequently Asked Questions

What is the IUPAC name of 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine?
The IUPAC name of 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine (CID 157098340) is 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine.
What is the SMILES notation for 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine?
The canonical SMILES for 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)nc(-c3cccnc3)n2)nc1.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1.
What is the InChIKey of 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine?
The InChIKey is AFLVZIJKOXVIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C62H38N10OS/c1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(49-36-51(47-18-10-12-30-66-47)70-62(68-49)40-16-14-28-64-38-40)31-41(48-35-50(46-17-9-11-29-65-46)69-61(67-48)39-15-13-27-63-37-39)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72;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;1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(51-36-49(40-16-14-28-64-38-40)68-62(70-51)47-18-10-12-30-66-47)31-41(50-35-48(39-15-13-27-63-37-39)67-61(69-50)46-17-9-11-29-65-46)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72/h3*1-38H.
What are the key properties of 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine?
10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine has a molecular weight of 2913.37 g/mol, XLogP of 46.54, 24 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine;10-[4-phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine is sourced from PubChem (CID 157098340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).