5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine

C73H49N7 — CID 154597691

IUPAC5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4)cc3N3c4ccccc4N(c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2)cc1
InChIInChI=1S/C73H49N7/c1-8-26-50(27-9-1)57-44-61(52-30-12-3-13-31-52)74-64(45-57)60-46-59(65-48-62(53-32-14-4-15-33-53)75-72(77-65)55-36-18-6-19-37-55)58(51-28-10-2-11-29-51)47-70(60)79-66-40-22-24-42-68(66)80(69-43-25-23-41-67(69)79)71-49-63(54-34-16-5-17-35-54)76-73(78-71)56-38-20-7-21-39-56/h1-49H
InChIKeyZGVZIAJZFUVDFL-UHFFFAOYSA-N
MW1024.24 g/mol
LogP18.92
Rot. Bonds11

About 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine

5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine (PubChem CID 154597691) has the molecular formula C73H49N7 and a molecular weight of 1024.24 g/mol. Its IUPAC name is 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine.

Molecular Properties

Compound Name5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine
PubChem CID154597691
Molecular FormulaC73H49N7
Molecular Weight1024.24 g/mol
Exact Mass1023.40
IUPAC Name5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4)cc3N3c4ccccc4N(c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2)cc1
InChIInChI=1S/C73H49N7/c1-8-26-50(27-9-1)57-44-61(52-30-12-3-13-31-52)74-64(45-57)60-46-59(65-48-62(53-32-14-4-15-33-53)75-72(77-65)55-36-18-6-19-37-55)58(51-28-10-2-11-29-51)47-70(60)79-66-40-22-24-42-68(66)80(69-43-25-23-41-67(69)79)71-49-63(54-34-16-5-17-35-54)76-73(78-71)56-38-20-7-21-39-56/h1-49H
InChIKeyZGVZIAJZFUVDFL-UHFFFAOYSA-N
XLogP18.92
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.24
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine
CID 154597775
5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]phenazine
CID 154597667
5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 154597840
5-(2,6-diphenylpyrimidin-4-yl)-10-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine;5-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 159718509
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine
CID 154597832
2-[4-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402387
2-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402228
8-(2,6-diphenylpyrimidin-4-yl)-15-phenyl-8,10,12-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682761
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]-10-(4,6-diphenylpyrimidin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 161255195

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine?
The IUPAC name of 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine (CID 154597691) is 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine.
What is the SMILES notation for 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine?
The canonical SMILES for 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4)cc3N3c4ccccc4N(c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2)cc1.
What is the InChIKey of 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine?
The InChIKey is ZGVZIAJZFUVDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N7/c1-8-26-50(27-9-1)57-44-61(52-30-12-3-13-31-52)74-64(45-57)60-46-59(65-48-62(53-32-14-4-15-33-53)75-72(77-65)55-36-18-6-19-37-55)58(51-28-10-2-11-29-51)47-70(60)79-66-40-22-24-42-68(66)80(69-43-25-23-41-67(69)79)71-49-63(54-34-16-5-17-35-54)76-73(78-71)56-38-20-7-21-39-56/h1-49H.
What are the key properties of 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine?
5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine has a molecular weight of 1024.24 g/mol, XLogP of 18.92, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine is sourced from PubChem (CID 154597691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).