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

C202H130N20OS5 — CID 159416067

IUPAC10-[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
SMILESc1ccc(-c2cc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C68H44N6OS.C68H44N6S2.C66H42N8S2/c1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)71-68(70-55)52-38-49(37-51(39-52)58-44-57(47-25-9-3-10-26-47)69-67(72-58)48-27-11-4-12-28-48)50-40-53(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)42-54(41-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74;1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)70-67(69-55)51-37-49(38-52(39-51)68-71-57(47-25-9-3-10-26-47)44-58(72-68)48-27-11-4-12-28-48)50-40-53(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)42-54(41-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74;1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-37-47(38-50(39-49)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46)48-40-51(73-53-29-13-17-33-57(53)75-58-34-18-14-30-54(58)73)42-52(41-48)74-55-31-15-19-35-59(55)76-60-36-20-16-32-56(60)74/h2*1-44H;1-42H
InChIKeyLPEGXQADRICQPC-UHFFFAOYSA-N
MW3013.74 g/mol
LogP54.84
Rot. Bonds27

About 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

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 (PubChem CID 159416067) has the molecular formula C202H130N20OS5 and a molecular weight of 3013.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID159416067
Molecular FormulaC202H130N20OS5
Molecular Weight3013.74 g/mol
Exact Mass3010.93
IUPAC Name10-[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
SMILESc1ccc(-c2cc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C68H44N6OS.C68H44N6S2.C66H42N8S2/c1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)71-68(70-55)52-38-49(37-51(39-52)58-44-57(47-25-9-3-10-26-47)69-67(72-58)48-27-11-4-12-28-48)50-40-53(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)42-54(41-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74;1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)70-67(69-55)51-37-49(38-52(39-51)68-71-57(47-25-9-3-10-26-47)44-58(72-68)48-27-11-4-12-28-48)50-40-53(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)42-54(41-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74;1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-37-47(38-50(39-49)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46)48-40-51(73-53-29-13-17-33-57(53)75-58-34-18-14-30-54(58)73)42-52(41-48)74-55-31-15-19-35-59(55)76-60-36-20-16-32-56(60)74/h2*1-44H;1-42H
InChIKeyLPEGXQADRICQPC-UHFFFAOYSA-N
XLogP54.84
TPSA209.13 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003013.74
LogP ≤ 554.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Related Compounds

10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[3-phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
10-[3-[3-[6-[4-[3-[2-[3-[3,5-di(phenothiazin-10-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 129302267
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
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
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc(N5c6ccccc6Sc6ccccc65)cc(N5c6ccccc6Sc6ccccc65)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is LPEGXQADRICQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N6OS.C68H44N6S2.C66H42N8S2/c1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)71-68(70-55)52-38-49(37-51(39-52)58-44-57(47-25-9-3-10-26-47)69-67(72-58)48-27-11-4-12-28-48)50-40-53(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)42-54(41-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74;1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)70-67(69-55)51-37-49(38-52(39-51)68-71-57(47-25-9-3-10-26-47)44-58(72-68)48-27-11-4-12-28-48)50-40-53(73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)42-54(41-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74;1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-37-47(38-50(39-49)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46)48-40-51(73-53-29-13-17-33-57(53)75-58-34-18-14-30-54(58)73)42-52(41-48)74-55-31-15-19-35-59(55)76-60-36-20-16-32-56(60)74/h2*1-44H;1-42H.
What are the key properties of 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?
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 has a molecular weight of 3013.74 g/mol, XLogP of 54.84, 27 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159416067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).