4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine

C45H32N2 — CID 161052183

IUPAC4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
SMILESCc1cccc(-c2ccc(-c3cc4ccccc4cc3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c1
InChIInChI=1S/C45H32N2/c1-31-11-10-18-38(27-31)32-19-21-33(22-20-32)41-28-39-16-8-9-17-40(39)29-42(41)34-23-25-36(26-24-34)44-30-43(35-12-4-2-5-13-35)46-45(47-44)37-14-6-3-7-15-37/h2-30H,1H3
InChIKeyZWEGPTIUBYKILY-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.94
Rot. Bonds6

About 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine

4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 161052183) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
PubChem CID161052183
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
SMILESCc1cccc(-c2ccc(-c3cc4ccccc4cc3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c1
InChIInChI=1S/C45H32N2/c1-31-11-10-18-38(27-31)32-19-21-33(22-20-32)41-28-39-16-8-9-17-40(39)29-42(41)34-23-25-36(26-24-34)44-30-43(35-12-4-2-5-13-35)46-45(47-44)37-14-6-3-7-15-37/h2-30H,1H3
InChIKeyZWEGPTIUBYKILY-UHFFFAOYSA-N
XLogP11.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 129128235
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 135247397
2-(4-methylphenyl)-4,6-diphenylpyrimidine;4-(4-methylphenyl)-2,6-diphenylpyrimidine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyridine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyridine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 159145948
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
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-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402387
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine (CID 161052183) is 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine is Cc1cccc(-c2ccc(-c3cc4ccccc4cc3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c1.
What is the InChIKey of 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is ZWEGPTIUBYKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-31-11-10-18-38(27-31)32-19-21-33(22-20-32)41-28-39-16-8-9-17-40(39)29-42(41)34-23-25-36(26-24-34)44-30-43(35-12-4-2-5-13-35)46-45(47-44)37-14-6-3-7-15-37/h2-30H,1H3.
What are the key properties of 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 600.77 g/mol, XLogP of 11.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 161052183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).