5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine

C224H163N27 — CID 157345088

IUPAC5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
SMILESCC(C)(C)c1cc(-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(C)(C)C)c1.Cc1cc(C)c(-c2cc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C79H63N9.C74H53N9.C71H47N9/c1-78(2,3)59-47-58(48-60(49-59)79(4,5)6)71-61(64-50-62(52-29-13-7-14-30-52)80-73(82-64)54-33-17-9-18-34-54)45-46-70(72(71)65-51-63(53-31-15-8-16-32-53)81-74(83-65)55-35-19-10-20-36-55)87-66-41-25-27-43-68(66)88(69-44-28-26-42-67(69)87)77-85-75(56-37-21-11-22-38-56)84-76(86-77)57-39-23-12-24-40-57;1-48-42-49(2)69(50(3)43-48)58-45-68(82-64-38-22-24-40-66(64)83(67-41-25-23-39-65(67)82)74-80-72(55-34-18-8-19-35-55)79-73(81-74)56-36-20-9-21-37-56)59(63-47-61(52-28-12-5-13-29-52)76-71(78-63)54-32-16-7-17-33-54)44-57(58)62-46-60(51-26-10-4-11-27-51)75-70(77-62)53-30-14-6-15-31-53;1-8-26-48(27-9-1)56-44-55(60-46-58(49-28-10-2-11-29-49)72-67(74-60)51-32-14-4-15-33-51)45-57(61-47-59(50-30-12-3-13-31-50)73-68(75-61)52-34-16-5-17-35-52)66(56)79-62-40-22-24-42-64(62)80(65-43-25-23-41-63(65)79)71-77-69(53-36-18-6-19-37-53)76-70(78-71)54-38-20-7-21-39-54/h7-51H,1-6H3;4-47H,1-3H3;1-47H
InChIKeyBGWBGULNSQLWNE-UHFFFAOYSA-N
MW3232.96 g/mol
LogP56.64
Rot. Bonds33

About 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine

5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (PubChem CID 157345088) has the molecular formula C224H163N27 and a molecular weight of 3232.96 g/mol. Its IUPAC name is 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.

Molecular Properties

Compound Name5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
PubChem CID157345088
Molecular FormulaC224H163N27
Molecular Weight3232.96 g/mol
Exact Mass3230.36
IUPAC Name5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
SMILESCC(C)(C)c1cc(-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(C)(C)C)c1.Cc1cc(C)c(-c2cc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C79H63N9.C74H53N9.C71H47N9/c1-78(2,3)59-47-58(48-60(49-59)79(4,5)6)71-61(64-50-62(52-29-13-7-14-30-52)80-73(82-64)54-33-17-9-18-34-54)45-46-70(72(71)65-51-63(53-31-15-8-16-32-53)81-74(83-65)55-35-19-10-20-36-55)87-66-41-25-27-43-68(66)88(69-44-28-26-42-67(69)87)77-85-75(56-37-21-11-22-38-56)84-76(86-77)57-39-23-12-24-40-57;1-48-42-49(2)69(50(3)43-48)58-45-68(82-64-38-22-24-40-66(64)83(67-41-25-23-39-65(67)82)74-80-72(55-34-18-8-19-35-55)79-73(81-74)56-36-20-9-21-37-56)59(63-47-61(52-28-12-5-13-29-52)76-71(78-63)54-32-16-7-17-33-54)44-57(58)62-46-60(51-26-10-4-11-27-51)75-70(77-62)53-30-14-6-15-31-53;1-8-26-48(27-9-1)56-44-55(60-46-58(49-28-10-2-11-29-49)72-67(74-60)51-32-14-4-15-33-51)45-57(61-47-59(50-30-12-3-13-31-50)73-68(75-61)52-34-16-5-17-35-52)66(56)79-62-40-22-24-42-64(62)80(65-43-25-23-41-63(65)79)71-77-69(53-36-18-6-19-37-53)76-70(78-71)54-38-20-7-21-39-54/h7-51H,1-6H3;4-47H,1-3H3;1-47H
InChIKeyBGWBGULNSQLWNE-UHFFFAOYSA-N
XLogP56.64
TPSA290.13 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms251
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003232.96
LogP ≤ 556.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?
The IUPAC name of 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (CID 157345088) is 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.
What is the SMILES notation for 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?
The canonical SMILES for 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine is CC(C)(C)c1cc(-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(C)(C)C)c1.Cc1cc(C)c(-c2cc(N3c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?
The InChIKey is BGWBGULNSQLWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H63N9.C74H53N9.C71H47N9/c1-78(2,3)59-47-58(48-60(49-59)79(4,5)6)71-61(64-50-62(52-29-13-7-14-30-52)80-73(82-64)54-33-17-9-18-34-54)45-46-70(72(71)65-51-63(53-31-15-8-16-32-53)81-74(83-65)55-35-19-10-20-36-55)87-66-41-25-27-43-68(66)88(69-44-28-26-42-67(69)87)77-85-75(56-37-21-11-22-38-56)84-76(86-77)57-39-23-12-24-40-57;1-48-42-49(2)69(50(3)43-48)58-45-68(82-64-38-22-24-40-66(64)83(67-41-25-23-39-65(67)82)74-80-72(55-34-18-8-19-35-55)79-73(81-74)56-36-20-9-21-37-56)59(63-47-61(52-28-12-5-13-29-52)76-71(78-63)54-32-16-7-17-33-54)44-57(58)62-46-60(51-26-10-4-11-27-51)75-70(77-62)53-30-14-6-15-31-53;1-8-26-48(27-9-1)56-44-55(60-46-58(49-28-10-2-11-29-49)72-67(74-60)51-32-14-4-15-33-51)45-57(61-47-59(50-30-12-3-13-31-50)73-68(75-61)52-34-16-5-17-35-52)66(56)79-62-40-22-24-42-64(62)80(65-43-25-23-41-63(65)79)71-77-69(53-36-18-6-19-37-53)76-70(78-71)54-38-20-7-21-39-54/h7-51H,1-6H3;4-47H,1-3H3;1-47H.
What are the key properties of 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?
5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine has a molecular weight of 3232.96 g/mol, XLogP of 56.64, 33 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-5-(2,4,6-trimethylphenyl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[3-(3,5-ditert-butylphenyl)-2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine is sourced from PubChem (CID 157345088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).