2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine

C47H37N5 — CID 129292621

IUPAC2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2ccc(-c3cc(-c4ccc(-c5nc(C)cc(C)n5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)n1
InChIInChI=1S/C47H37N5/c1-30-23-31(2)49-46(48-30)38-19-15-34(16-20-38)40-25-41(35-17-21-39(22-18-35)47-50-32(3)24-33(4)51-47)27-42(26-40)43-28-44(36-11-7-5-8-12-36)52-45(29-43)37-13-9-6-10-14-37/h5-29H,1-4H3
InChIKeyJHTXRAKYFAXGTJ-UHFFFAOYSA-N
MW671.85 g/mol
LogP11.56
Rot. Bonds7

About 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine

2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine (PubChem CID 129292621) has the molecular formula C47H37N5 and a molecular weight of 671.85 g/mol. Its IUPAC name is 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
PubChem CID129292621
Molecular FormulaC47H37N5
Molecular Weight671.85 g/mol
Exact Mass671.30
IUPAC Name2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2ccc(-c3cc(-c4ccc(-c5nc(C)cc(C)n5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)n1
InChIInChI=1S/C47H37N5/c1-30-23-31(2)49-46(48-30)38-19-15-34(16-20-38)40-25-41(35-17-21-39(22-18-35)47-50-32(3)24-33(4)51-47)27-42(26-40)43-28-44(36-11-7-5-8-12-36)52-45(29-43)37-13-9-6-10-14-37/h5-29H,1-4H3
InChIKeyJHTXRAKYFAXGTJ-UHFFFAOYSA-N
XLogP11.56
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.85
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine;2-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]-4,6-dimethylpyrimidine;2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine;2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 158579078
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58943606
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 122416438
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
2-methyl-4,6-diphenylpyridine
CID 618669
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine (CID 129292621) is 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(-c2ccc(-c3cc(-c4ccc(-c5nc(C)cc(C)n5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)n1.
What is the InChIKey of 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine?
The InChIKey is JHTXRAKYFAXGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N5/c1-30-23-31(2)49-46(48-30)38-19-15-34(16-20-38)40-25-41(35-17-21-39(22-18-35)47-50-32(3)24-33(4)51-47)27-42(26-40)43-28-44(36-11-7-5-8-12-36)52-45(29-43)37-13-9-6-10-14-37/h5-29H,1-4H3.
What are the key properties of 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine?
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine has a molecular weight of 671.85 g/mol, XLogP of 11.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 129292621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).