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

C72H48N8 — CID 154597775

IUPAC5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine
SMILESc1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c(-c4ccccc4)cc3N3c4ccccc4N(c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C72H48N8/c1-8-26-49(27-9-1)56-45-68(79-64-40-22-24-42-66(64)80(67-43-25-23-41-65(67)79)69-48-62(53-34-16-5-17-35-53)74-71(78-69)55-38-20-7-21-39-55)58(63-47-61(52-32-14-4-15-33-52)73-70(77-63)54-36-18-6-19-37-54)44-57(56)72-75-59(50-28-10-2-11-29-50)46-60(76-72)51-30-12-3-13-31-51/h1-48H
InChIKeyNWRGSMVWBVSIKF-UHFFFAOYSA-N
MW1025.23 g/mol
LogP18.31
Rot. Bonds11

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

5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine (PubChem CID 154597775) has the molecular formula C72H48N8 and a molecular weight of 1025.23 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine.

Molecular Properties

Compound Name5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine
PubChem CID154597775
Molecular FormulaC72H48N8
Molecular Weight1025.23 g/mol
Exact Mass1024.40
IUPAC Name5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine
SMILESc1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c(-c4ccccc4)cc3N3c4ccccc4N(c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C72H48N8/c1-8-26-49(27-9-1)56-45-68(79-64-40-22-24-42-66(64)80(67-43-25-23-41-65(67)79)69-48-62(53-34-16-5-17-35-53)74-71(78-69)55-38-20-7-21-39-55)58(63-47-61(52-32-14-4-15-33-52)73-70(77-63)54-36-18-6-19-37-54)44-57(56)72-75-59(50-28-10-2-11-29-50)46-60(76-72)51-30-12-3-13-31-51/h1-48H
InChIKeyNWRGSMVWBVSIKF-UHFFFAOYSA-N
XLogP18.31
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.23
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(4,6-diphenyl-2-pyridinyl)-4-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine
CID 154597691
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-[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-[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
5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine
CID 154597832
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)-3,5-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
5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 154597654
5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 154597670
5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 154597838
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine?
The IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine (CID 154597775) is 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine.
What is the SMILES notation for 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine?
The canonical SMILES for 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine is c1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c(-c4ccccc4)cc3N3c4ccccc4N(c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine?
The InChIKey is NWRGSMVWBVSIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N8/c1-8-26-49(27-9-1)56-45-68(79-64-40-22-24-42-66(64)80(67-43-25-23-41-65(67)79)69-48-62(53-34-16-5-17-35-53)74-71(78-69)55-38-20-7-21-39-55)58(63-47-61(52-32-14-4-15-33-52)73-70(77-63)54-36-18-6-19-37-54)44-57(56)72-75-59(50-28-10-2-11-29-50)46-60(76-72)51-30-12-3-13-31-51/h1-48H.
What are the key properties of 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine?
5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine has a molecular weight of 1025.23 g/mol, XLogP of 18.31, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenazine is sourced from PubChem (CID 154597775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).