4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine

C38H28N4 — CID 166057473

IUPAC4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
SMILESCc1cc(C)nc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c2)n1
InChIInChI=1S/C38H28N4/c1-25-22-26(2)40-38(39-25)32-15-8-14-31(23-32)36-24-35(29-11-4-3-5-12-29)41-37(42-36)30-20-18-28(19-21-30)34-17-9-13-27-10-6-7-16-33(27)34/h3-24H,1-2H3
InChIKeyVWFYRDIWXMJOLQ-UHFFFAOYSA-N
MW540.67 g/mol
LogP9.37
Rot. Bonds5

About 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine

4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine (PubChem CID 166057473) has the molecular formula C38H28N4 and a molecular weight of 540.67 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
PubChem CID166057473
Molecular FormulaC38H28N4
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC Name4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
SMILESCc1cc(C)nc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c2)n1
InChIInChI=1S/C38H28N4/c1-25-22-26(2)40-38(39-25)32-15-8-14-31(23-32)36-24-35(29-11-4-3-5-12-29)41-37(42-36)30-20-18-28(19-21-30)34-17-9-13-27-10-6-7-16-33(27)34/h3-24H,1-2H3
InChIKeyVWFYRDIWXMJOLQ-UHFFFAOYSA-N
XLogP9.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292630
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 121338959
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
4-(3,5-diphenylphenyl)-2-methyl-6-(4-naphthalen-1-ylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 161366762
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155603318
4-[4-[6-(3-naphthalen-1-ylphenyl)-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384409
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine (CID 166057473) is 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine is Cc1cc(C)nc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine?
The InChIKey is VWFYRDIWXMJOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4/c1-25-22-26(2)40-38(39-25)32-15-8-14-31(23-32)36-24-35(29-11-4-3-5-12-29)41-37(42-36)30-20-18-28(19-21-30)34-17-9-13-27-10-6-7-16-33(27)34/h3-24H,1-2H3.
What are the key properties of 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine?
4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine has a molecular weight of 540.67 g/mol, XLogP of 9.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine is sourced from PubChem (CID 166057473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).