2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine

C60H40N4 — CID 70936394

IUPAC2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)n4)cc3)c2)cc1
InChIInChI=1S/C60H40N4/c1-5-15-41(16-6-1)52-36-54(44-20-9-3-10-21-44)61-56(38-52)46-26-28-48(29-27-46)58-40-59(51-34-25-43-19-13-14-24-50(43)35-51)64-60(63-58)49-32-30-47(31-33-49)57-39-53(42-17-7-2-8-18-42)37-55(62-57)45-22-11-4-12-23-45/h1-40H
InChIKeyQMAAMHMOFCGUJQ-UHFFFAOYSA-N
MW817.01 g/mol
LogP15.42
Rot. Bonds9

About 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine

2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine (PubChem CID 70936394) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
PubChem CID70936394
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)n4)cc3)c2)cc1
InChIInChI=1S/C60H40N4/c1-5-15-41(16-6-1)52-36-54(44-20-9-3-10-21-44)61-56(38-52)46-26-28-48(29-27-46)58-40-59(51-34-25-43-19-13-14-24-50(43)35-51)64-60(63-58)49-32-30-47(31-33-49)57-39-53(42-17-7-2-8-18-42)37-55(62-57)45-22-11-4-12-23-45/h1-40H
InChIKeyQMAAMHMOFCGUJQ-UHFFFAOYSA-N
XLogP15.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,6-diphenyl-4-pyridinyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 158243119
2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 165013839
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine
CID 129292668
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
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
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
2-[4-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121258095
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine?
The IUPAC name of 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine (CID 70936394) is 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)n4)cc3)c2)cc1.
What is the InChIKey of 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine?
The InChIKey is QMAAMHMOFCGUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-5-15-41(16-6-1)52-36-54(44-20-9-3-10-21-44)61-56(38-52)46-26-28-48(29-27-46)58-40-59(51-34-25-43-19-13-14-24-50(43)35-51)64-60(63-58)49-32-30-47(31-33-49)57-39-53(42-17-7-2-8-18-42)37-55(62-57)45-22-11-4-12-23-45/h1-40H.
What are the key properties of 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine?
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine has a molecular weight of 817.01 g/mol, XLogP of 15.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 70936394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).