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

C179H113N33O2S2 — CID 161445516

IUPAC10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine
SMILESc1ccc(-c2cc(-c3cc(N4c5ccccc5Sc5ccccc54)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc3-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)n2)nc1.c1ccc(N2c3ccccc3N(c3ccc(-c4ccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)cc4-c4ncncn4)c(-c4ncncn4)c3)c3ccccc32)cc1
InChIInChI=1S/C63H39N11S2.C62H38N12O2.C54H36N10/c1-5-25-56-52(21-1)73(53-22-2-6-26-57(53)75-56)40-29-31-42(44(37-40)50-39-51(46-17-9-13-33-64-46)69-61(68-50)47-18-10-14-34-65-47)43-32-30-41(74-54-23-3-7-27-58(54)76-59-28-8-4-24-55(59)74)38-45(43)60-70-62(48-19-11-15-35-66-48)72-63(71-60)49-20-12-16-36-67-49;1-5-25-53-49(21-1)73(50-22-2-6-26-54(50)75-53)39-29-31-41(43(37-39)57-67-59(45-17-9-13-33-63-45)71-60(68-57)46-18-10-14-34-64-46)42-32-30-40(74-51-23-3-7-27-55(51)76-56-28-8-4-24-52(56)74)38-44(42)58-69-61(47-19-11-15-35-65-47)72-62(70-58)48-20-12-16-36-66-48;1-3-15-37(16-4-1)61-45-19-7-11-23-49(45)63(50-24-12-8-20-46(50)61)39-27-29-41(43(31-39)53-57-33-55-34-58-53)42-30-28-40(32-44(42)54-59-35-56-36-60-54)64-51-25-13-9-21-47(51)62(38-17-5-2-6-18-38)48-22-10-14-26-52(48)64/h1-39H;1-38H;1-36H
InChIKeyVZVMIWSBNBDORU-UHFFFAOYSA-N
MW2822.24 g/mol
LogP43.80
Rot. Bonds25

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

10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine (PubChem CID 161445516) has the molecular formula C179H113N33O2S2 and a molecular weight of 2822.24 g/mol. Its IUPAC name is 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine.

Molecular Properties

Compound Name10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine
PubChem CID161445516
Molecular FormulaC179H113N33O2S2
Molecular Weight2822.24 g/mol
Exact Mass2819.92
IUPAC Name10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine
SMILESc1ccc(-c2cc(-c3cc(N4c5ccccc5Sc5ccccc54)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc3-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)n2)nc1.c1ccc(N2c3ccccc3N(c3ccc(-c4ccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)cc4-c4ncncn4)c(-c4ncncn4)c3)c3ccccc32)cc1
InChIInChI=1S/C63H39N11S2.C62H38N12O2.C54H36N10/c1-5-25-56-52(21-1)73(53-22-2-6-26-57(53)75-56)40-29-31-42(44(37-40)50-39-51(46-17-9-13-33-64-46)69-61(68-50)47-18-10-14-34-65-47)43-32-30-41(74-54-23-3-7-27-58(54)76-59-28-8-4-24-55(59)74)38-45(43)60-70-62(48-19-11-15-35-66-48)72-63(71-60)49-20-12-16-36-67-49;1-5-25-53-49(21-1)73(50-22-2-6-26-54(50)75-53)39-29-31-41(43(37-39)57-67-59(45-17-9-13-33-63-45)71-60(68-57)46-18-10-14-34-64-46)42-32-30-40(74-51-23-3-7-27-55(51)76-56-28-8-4-24-52(56)74)38-44(42)58-69-61(47-19-11-15-35-65-47)72-62(70-58)48-20-12-16-36-66-48;1-3-15-37(16-4-1)61-45-19-7-11-23-49(45)63(50-24-12-8-20-46(50)61)39-27-29-41(43(31-39)53-57-33-55-34-58-53)42-30-28-40(32-44(42)54-59-35-56-36-60-54)64-51-25-13-9-21-47(51)62(38-17-5-2-6-18-38)48-22-10-14-26-52(48)64/h1-39H;1-38H;1-36H
InChIKeyVZVMIWSBNBDORU-UHFFFAOYSA-N
XLogP43.80
TPSA366.63 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002822.24
LogP ≤ 543.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

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

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine?
The IUPAC name of 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine (CID 161445516) is 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine.
What is the SMILES notation for 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine?
The canonical SMILES for 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine is c1ccc(-c2cc(-c3cc(N4c5ccccc5Sc5ccccc54)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc3-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)n2)nc1.c1ccc(N2c3ccccc3N(c3ccc(-c4ccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)cc4-c4ncncn4)c(-c4ncncn4)c3)c3ccccc32)cc1.
What is the InChIKey of 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine?
The InChIKey is VZVMIWSBNBDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N11S2.C62H38N12O2.C54H36N10/c1-5-25-56-52(21-1)73(53-22-2-6-26-57(53)75-56)40-29-31-42(44(37-40)50-39-51(46-17-9-13-33-64-46)69-61(68-50)47-18-10-14-34-65-47)43-32-30-41(74-54-23-3-7-27-58(54)76-59-28-8-4-24-55(59)74)38-45(43)60-70-62(48-19-11-15-35-66-48)72-63(71-60)49-20-12-16-36-67-49;1-5-25-53-49(21-1)73(50-22-2-6-26-54(50)75-53)39-29-31-41(43(37-39)57-67-59(45-17-9-13-33-63-45)71-60(68-57)46-18-10-14-34-64-46)42-32-30-40(74-51-23-3-7-27-55(51)76-56-28-8-4-24-52(56)74)38-44(42)58-69-61(47-19-11-15-35-65-47)72-62(70-58)48-20-12-16-36-66-48;1-3-15-37(16-4-1)61-45-19-7-11-23-49(45)63(50-24-12-8-20-46(50)61)39-27-29-41(43(31-39)53-57-33-55-34-58-53)42-30-28-40(32-44(42)54-59-35-56-36-60-54)64-51-25-13-9-21-47(51)62(38-17-5-2-6-18-38)48-22-10-14-26-52(48)64/h1-39H;1-38H;1-36H.
What are the key properties of 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine?
10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine has a molecular weight of 2822.24 g/mol, XLogP of 43.80, 25 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine is sourced from PubChem (CID 161445516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).