10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine

C216H180N36O4 — CID 157215098

IUPAC10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine
SMILESCCCCc1cnc(-c2cc(-c3cc(-c4cc(-c5cnc(CCCC)cn5)cc(-c5cnc(CCCC)cn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cnc(CCCC)cn3)c2)cn1.CCCCc1cnc(-c2cc(-c3cc(-c4cc(-c5ncc(CCCC)cn5)cc(-c5ncc(CCCC)cn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ncc(CCCC)cn3)c2)nc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)c1.c1cnnc(-c2cc(-c3cc(-c4cc(-c5cccnn5)cc(-c5cccnn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cccnn3)c2)c1
InChIInChI=1S/2C62H61N9O.2C46H29N9O/c1-5-9-17-50-34-67-55(38-63-50)46-26-42(27-47(30-46)56-39-64-51(35-68-56)18-10-6-2)44-25-45(33-54(32-44)71-59-21-13-15-23-61(59)72-62-24-16-14-22-60(62)71)43-28-48(57-40-65-52(36-69-57)19-11-7-3)31-49(29-43)58-41-66-53(37-70-58)20-12-8-4;1-5-9-17-42-34-63-59(64-35-42)50-26-46(27-51(30-50)60-65-36-43(37-66-60)18-10-6-2)48-25-49(33-54(32-48)71-55-21-13-15-23-57(55)72-58-24-16-14-22-56(58)71)47-28-52(61-67-38-44(39-68-61)19-11-7-3)31-53(29-47)62-69-40-45(41-70-62)20-12-8-4;1-3-15-45-43(13-1)55(44-14-2-4-16-46(44)56-45)38-28-32(30-22-34(39-9-5-17-47-51-39)26-35(23-30)40-10-6-18-48-52-40)21-33(29-38)31-24-36(41-11-7-19-49-53-41)27-37(25-31)42-12-8-20-50-54-42;1-3-7-45-43(5-1)55(44-6-2-4-8-46(44)56-45)38-24-32(30-18-34(39-26-47-9-13-51-39)22-35(19-30)40-27-48-10-14-52-40)17-33(25-38)31-20-36(41-28-49-11-15-53-41)23-37(21-31)42-29-50-12-16-54-42/h2*13-16,21-41H,5-12,17-20H2,1-4H3;2*1-29H
InChIKeyASIBERKNILYYQJ-UHFFFAOYSA-N
MW3344.06 g/mol
LogP52.44
Rot. Bonds52

About 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine

10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine (PubChem CID 157215098) has the molecular formula C216H180N36O4 and a molecular weight of 3344.06 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine
PubChem CID157215098
Molecular FormulaC216H180N36O4
Molecular Weight3344.06 g/mol
Exact Mass3341.50
IUPAC Name10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine
SMILESCCCCc1cnc(-c2cc(-c3cc(-c4cc(-c5cnc(CCCC)cn5)cc(-c5cnc(CCCC)cn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cnc(CCCC)cn3)c2)cn1.CCCCc1cnc(-c2cc(-c3cc(-c4cc(-c5ncc(CCCC)cn5)cc(-c5ncc(CCCC)cn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ncc(CCCC)cn3)c2)nc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)c1.c1cnnc(-c2cc(-c3cc(-c4cc(-c5cccnn5)cc(-c5cccnn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cccnn3)c2)c1
InChIInChI=1S/2C62H61N9O.2C46H29N9O/c1-5-9-17-50-34-67-55(38-63-50)46-26-42(27-47(30-46)56-39-64-51(35-68-56)18-10-6-2)44-25-45(33-54(32-44)71-59-21-13-15-23-61(59)72-62-24-16-14-22-60(62)71)43-28-48(57-40-65-52(36-69-57)19-11-7-3)31-49(29-43)58-41-66-53(37-70-58)20-12-8-4;1-5-9-17-42-34-63-59(64-35-42)50-26-46(27-51(30-50)60-65-36-43(37-66-60)18-10-6-2)48-25-49(33-54(32-48)71-55-21-13-15-23-57(55)72-58-24-16-14-22-56(58)71)47-28-52(61-67-38-44(39-68-61)19-11-7-3)31-53(29-47)62-69-40-45(41-70-62)20-12-8-4;1-3-15-45-43(13-1)55(44-14-2-4-16-46(44)56-45)38-28-32(30-22-34(39-9-5-17-47-51-39)26-35(23-30)40-10-6-18-48-52-40)21-33(29-38)31-24-36(41-11-7-19-49-53-41)27-37(25-31)42-12-8-20-50-54-42;1-3-7-45-43(5-1)55(44-6-2-4-8-46(44)56-45)38-24-32(30-18-34(39-26-47-9-13-51-39)22-35(19-30)40-27-48-10-14-52-40)17-33(25-38)31-20-36(41-28-49-11-15-53-41)23-37(21-31)42-29-50-12-16-54-42/h2*13-16,21-41H,5-12,17-20H2,1-4H3;2*1-29H
InChIKeyASIBERKNILYYQJ-UHFFFAOYSA-N
XLogP52.44
TPSA462.36 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds52
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003344.06
LogP ≤ 552.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine with MolForge

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Related Compounds

4-(3-methyl-2-(2-pyridinyl)-1,8-naphthyridin-4-yl)-6-(4-morpholinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 67285250
4-[4-[4-Ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 144744876
Bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
CID 159972216
N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide
CID 160941923
2-N-(2-aminocyclohexyl)cyclohexane-1,2-diamine;2-N-[2-(dimethylamino)-5-methylphenyl]-1-N,1-N,2-N,4-tetramethylbenzene-1,2-diamine;2-N-[2-(dimethylamino)phenyl]-1-N,1-N,2-N-trimethylbenzene-1,2-diamine;1-N-[2-(dimethylamino)-4-(trifluoromethyl)phenyl]-1-N,2-N,2-N,4-tetramethylbenzene-1,2-diamine;1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine;2-(5-pyridin-2-ylpentyl)pyridine;2-(6-pyridin-2-ylpiperidin-2-yl)pyridine;1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)ethanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N-(pyrimidin-2-ylmethyl)methanamine;9H-xanthene-4,5-diamine
CID 162055282
6-[6,7-dimethyl-2-[3-(1-methylpyrazol-4-yl)phenyl]pteridin-4-yl]-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 178120511
6-(3,4-dihydro-2H-chromen-2-yl)-8-(3,4-dihydroquinolin-2-yl)-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-ylcinnoline
CID 53654478
4-[[2-(2,6-Diethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]-6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 57531469
4-[[2-(2,6-Diethylphenyl)-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]-6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 57531500
10-[3,5-Bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine
CID 58251172
10-[3,5-Di(pyrimidin-4-yl)phenyl]phenoxazine
CID 58251182
10-[3,5-Bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine
CID 58251202

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine (CID 157215098) is 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine is CCCCc1cnc(-c2cc(-c3cc(-c4cc(-c5cnc(CCCC)cn5)cc(-c5cnc(CCCC)cn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cnc(CCCC)cn3)c2)cn1.CCCCc1cnc(-c2cc(-c3cc(-c4cc(-c5ncc(CCCC)cn5)cc(-c5ncc(CCCC)cn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ncc(CCCC)cn3)c2)nc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)c1.c1cnnc(-c2cc(-c3cc(-c4cc(-c5cccnn5)cc(-c5cccnn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cccnn3)c2)c1.
What is the InChIKey of 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine?
The InChIKey is ASIBERKNILYYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H61N9O.2C46H29N9O/c1-5-9-17-50-34-67-55(38-63-50)46-26-42(27-47(30-46)56-39-64-51(35-68-56)18-10-6-2)44-25-45(33-54(32-44)71-59-21-13-15-23-61(59)72-62-24-16-14-22-60(62)71)43-28-48(57-40-65-52(36-69-57)19-11-7-3)31-49(29-43)58-41-66-53(37-70-58)20-12-8-4;1-5-9-17-42-34-63-59(64-35-42)50-26-46(27-51(30-50)60-65-36-43(37-66-60)18-10-6-2)48-25-49(33-54(32-48)71-55-21-13-15-23-57(55)72-58-24-16-14-22-56(58)71)47-28-52(61-67-38-44(39-68-61)19-11-7-3)31-53(29-47)62-69-40-45(41-70-62)20-12-8-4;1-3-15-45-43(13-1)55(44-14-2-4-16-46(44)56-45)38-28-32(30-22-34(39-9-5-17-47-51-39)26-35(23-30)40-10-6-18-48-52-40)21-33(29-38)31-24-36(41-11-7-19-49-53-41)27-37(25-31)42-12-8-20-50-54-42;1-3-7-45-43(5-1)55(44-6-2-4-8-46(44)56-45)38-24-32(30-18-34(39-26-47-9-13-51-39)22-35(19-30)40-27-48-10-14-52-40)17-33(25-38)31-20-36(41-28-49-11-15-53-41)23-37(21-31)42-29-50-12-16-54-42/h2*13-16,21-41H,5-12,17-20H2,1-4H3;2*1-29H.
What are the key properties of 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine?
10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine has a molecular weight of 3344.06 g/mol, XLogP of 52.44, 52 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis[3,5-bis(5-butylpyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-bis(5-butylpyrimidin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine;10-[3,5-bis[3,5-di(pyridazin-3-yl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 157215098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).