4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine

C32H21BrN2 — CID 134183794

IUPAC4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESBrc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2ccccc12
InChIInChI=1S/C32H21BrN2/c33-29-20-19-28(26-13-7-8-14-27(26)29)31-21-30(24-11-5-2-6-12-24)34-32(35-31)25-17-15-23(16-18-25)22-9-3-1-4-10-22/h1-21H
InChIKeyACRTULLPFZVDGR-UHFFFAOYSA-N
MW513.44 g/mol
LogP9.06
Rot. Bonds4

About 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine

4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 134183794) has the molecular formula C32H21BrN2 and a molecular weight of 513.44 g/mol. Its IUPAC name is 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID134183794
Molecular FormulaC32H21BrN2
Molecular Weight513.44 g/mol
Exact Mass512.09
IUPAC Name4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESBrc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2ccccc12
InChIInChI=1S/C32H21BrN2/c33-29-20-19-28(26-13-7-8-14-27(26)29)31-21-30(24-11-5-2-6-12-24)34-32(35-31)25-17-15-23(16-18-25)22-9-3-1-4-10-22/h1-21H
InChIKeyACRTULLPFZVDGR-UHFFFAOYSA-N
XLogP9.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.44
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 134183794) is 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine is Brc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2ccccc12.
What is the InChIKey of 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is ACRTULLPFZVDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN2/c33-29-20-19-28(26-13-7-8-14-27(26)29)31-21-30(24-11-5-2-6-12-24)34-32(35-31)25-17-15-23(16-18-25)22-9-3-1-4-10-22/h1-21H.
What are the key properties of 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 513.44 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromonaphthalen-1-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 134183794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).