2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine

C32H21BrN2 — CID 122548824

IUPAC2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc5ccccc5c4)n3)c2)c1
InChIInChI=1S/C32H21BrN2/c33-29-15-7-13-26(20-29)25-12-6-14-28(19-25)32-34-30(23-9-2-1-3-10-23)21-31(35-32)27-17-16-22-8-4-5-11-24(22)18-27/h1-21H
InChIKeyAXOGEAFXZVUWOK-UHFFFAOYSA-N
MW513.44 g/mol
LogP9.06
Rot. Bonds4

About 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine

2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine (PubChem CID 122548824) has the molecular formula C32H21BrN2 and a molecular weight of 513.44 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
PubChem CID122548824
Molecular FormulaC32H21BrN2
Molecular Weight513.44 g/mol
Exact Mass512.09
IUPAC Name2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc5ccccc5c4)n3)c2)c1
InChIInChI=1S/C32H21BrN2/c33-29-15-7-13-26(20-29)25-12-6-14-28(19-25)32-34-30(23-9-2-1-3-10-23)21-31(35-32)27-17-16-22-8-4-5-11-24(22)18-27/h1-21H
InChIKeyAXOGEAFXZVUWOK-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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Related Compounds

4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
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-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171457187
2-[4-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121258095
2-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121338958
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine?
The IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine (CID 122548824) is 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine?
The canonical SMILES for 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine is Brc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc5ccccc5c4)n3)c2)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine?
The InChIKey is AXOGEAFXZVUWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN2/c33-29-15-7-13-26(20-29)25-12-6-14-28(19-25)32-34-30(23-9-2-1-3-10-23)21-31(35-32)27-17-16-22-8-4-5-11-24(22)18-27/h1-21H.
What are the key properties of 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine?
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine 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 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine is sourced from PubChem (CID 122548824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).