2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine

C43H30N2 — CID 123694324

IUPAC2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
SMILESCc1ccccc1-c1nc(-c2cccc(-c3cccc4ccccc34)c2)cc(-c2cccc(-c3cccc4ccccc34)c2)n1
InChIInChI=1S/C43H30N2/c1-29-12-2-5-21-36(29)43-44-41(34-19-8-17-32(26-34)39-24-10-15-30-13-3-6-22-37(30)39)28-42(45-43)35-20-9-18-33(27-35)40-25-11-16-31-14-4-7-23-38(31)40/h2-28H,1H3
InChIKeyXSSDRUZOGJVBRP-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.43
Rot. Bonds5

About 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine

2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine (PubChem CID 123694324) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
PubChem CID123694324
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
SMILESCc1ccccc1-c1nc(-c2cccc(-c3cccc4ccccc34)c2)cc(-c2cccc(-c3cccc4ccccc34)c2)n1
InChIInChI=1S/C43H30N2/c1-29-12-2-5-21-36(29)43-44-41(34-19-8-17-32(26-34)39-24-10-15-30-13-3-6-22-37(30)39)28-42(45-43)35-20-9-18-33(27-35)40-25-11-16-31-14-4-7-23-38(31)40/h2-28H,1H3
InChIKeyXSSDRUZOGJVBRP-UHFFFAOYSA-N
XLogP11.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine
CID 118133292
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
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-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine
CID 135215553
4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
CID 166057473
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168779978
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine?
The IUPAC name of 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine (CID 123694324) is 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine?
The canonical SMILES for 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine is Cc1ccccc1-c1nc(-c2cccc(-c3cccc4ccccc34)c2)cc(-c2cccc(-c3cccc4ccccc34)c2)n1.
What is the InChIKey of 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine?
The InChIKey is XSSDRUZOGJVBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-29-12-2-5-21-36(29)43-44-41(34-19-8-17-32(26-34)39-24-10-15-30-13-3-6-22-37(30)39)28-42(45-43)35-20-9-18-33(27-35)40-25-11-16-31-14-4-7-23-38(31)40/h2-28H,1H3.
What are the key properties of 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine?
2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine has a molecular weight of 574.73 g/mol, XLogP of 11.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine is sourced from PubChem (CID 123694324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).