10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine

C188H116N34O2S4 — CID 158333757

IUPAC10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
SMILESc1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c3)n2)nc1.c1ccc(-c2nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c3)n2)nc1
InChIInChI=1S/C64H40N10O2.2C62H38N12S2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-34-44(35-48(36-47)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)43-31-45(63-69-51(41-15-13-27-65-39-41)37-53(71-63)49-17-9-11-29-67-49)33-46(32-43)64-70-52(42-16-14-28-66-40-42)38-54(72-64)50-18-10-12-30-68-50;1-5-25-53-49(21-1)73(50-22-2-6-26-54(50)75-53)43-36-40(37-44(38-43)74-51-23-3-7-27-55(51)76-56-28-8-4-24-52(56)74)39-33-41(57-67-59(45-17-9-13-29-63-45)71-60(68-57)46-18-10-14-30-64-46)35-42(34-39)58-69-61(47-19-11-15-31-65-47)72-62(70-58)48-20-12-16-32-66-48;1-5-23-53-49(19-1)73(50-20-2-6-24-54(50)75-53)45-34-42(35-46(36-45)74-51-21-3-7-25-55(51)76-56-26-8-4-22-52(56)74)41-31-43(59-67-57(39-15-13-27-63-37-39)69-61(71-59)47-17-9-11-29-65-47)33-44(32-41)60-68-58(40-16-14-28-64-38-40)70-62(72-60)48-18-10-12-30-66-48/h1-40H;2*1-38H
InChIKeyGQIFLBHIMVVEEC-UHFFFAOYSA-N
MW3011.50 g/mol
LogP46.02
Rot. Bonds27

About 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine

10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine (PubChem CID 158333757) has the molecular formula C188H116N34O2S4 and a molecular weight of 3011.50 g/mol. Its IUPAC name is 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine.

Molecular Properties

Compound Name10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
PubChem CID158333757
Molecular FormulaC188H116N34O2S4
Molecular Weight3011.50 g/mol
Exact Mass3008.89
IUPAC Name10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
SMILESc1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c3)n2)nc1.c1ccc(-c2nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c3)n2)nc1
InChIInChI=1S/C64H40N10O2.2C62H38N12S2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-34-44(35-48(36-47)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)43-31-45(63-69-51(41-15-13-27-65-39-41)37-53(71-63)49-17-9-11-29-67-49)33-46(32-43)64-70-52(42-16-14-28-66-40-42)38-54(72-64)50-18-10-12-30-68-50;1-5-25-53-49(21-1)73(50-22-2-6-26-54(50)75-53)43-36-40(37-44(38-43)74-51-23-3-7-27-55(51)76-56-28-8-4-24-52(56)74)39-33-41(57-67-59(45-17-9-13-29-63-45)71-60(68-57)46-18-10-14-30-64-46)35-42(34-39)58-69-61(47-19-11-15-31-65-47)72-62(70-58)48-20-12-16-32-66-48;1-5-23-53-49(19-1)73(50-20-2-6-24-54(50)75-53)45-34-42(35-46(36-45)74-51-21-3-7-25-55(51)76-56-26-8-4-22-52(56)74)41-31-43(59-67-57(39-15-13-27-63-37-39)69-61(71-59)47-17-9-11-29-65-47)33-44(32-41)60-68-58(40-16-14-28-64-38-40)70-62(72-60)48-18-10-12-30-66-48/h1-40H;2*1-38H
InChIKeyGQIFLBHIMVVEEC-UHFFFAOYSA-N
XLogP46.02
TPSA398.82 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003011.50
LogP ≤ 546.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine with MolForge

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Related Compounds

10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291643
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663
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-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
CID 129290650
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 129290700
5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 129291637
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenothiazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290721
10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine
CID 159871347
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 161045076
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylacridine;5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[5-phenothiazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenothiazine;10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine
CID 161103090

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine?
The IUPAC name of 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine (CID 158333757) is 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine.
What is the SMILES notation for 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine?
The canonical SMILES for 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine is c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)c3)n2)nc1.c1ccc(-c2nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c3)n2)nc1.
What is the InChIKey of 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine?
The InChIKey is GQIFLBHIMVVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N10O2.2C62H38N12S2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-34-44(35-48(36-47)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)43-31-45(63-69-51(41-15-13-27-65-39-41)37-53(71-63)49-17-9-11-29-67-49)33-46(32-43)64-70-52(42-16-14-28-66-40-42)38-54(72-64)50-18-10-12-30-68-50;1-5-25-53-49(21-1)73(50-22-2-6-26-54(50)75-53)43-36-40(37-44(38-43)74-51-23-3-7-27-55(51)76-56-28-8-4-24-52(56)74)39-33-41(57-67-59(45-17-9-13-29-63-45)71-60(68-57)46-18-10-14-30-64-46)35-42(34-39)58-69-61(47-19-11-15-31-65-47)72-62(70-58)48-20-12-16-32-66-48;1-5-23-53-49(19-1)73(50-20-2-6-24-54(50)75-53)45-34-42(35-46(36-45)74-51-21-3-7-25-55(51)76-56-26-8-4-22-52(56)74)41-31-43(59-67-57(39-15-13-27-63-37-39)69-61(71-59)47-17-9-11-29-65-47)33-44(32-41)60-68-58(40-16-14-28-64-38-40)70-62(72-60)48-18-10-12-30-66-48/h1-40H;2*1-38H.
What are the key properties of 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine?
10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine has a molecular weight of 3011.50 g/mol, XLogP of 46.02, 27 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine is sourced from PubChem (CID 158333757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).