2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine

C34H23ClN2 — CID 169004297

IUPAC2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESClc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)n3)c2)c1
InChIInChI=1S/C34H23ClN2/c35-31-19-9-16-28(22-31)27-15-8-18-30(21-27)34-36-32(25-12-5-2-6-13-25)23-33(37-34)29-17-7-14-26(20-29)24-10-3-1-4-11-24/h1-23H
InChIKeyKQESZXNUHUIUSH-UHFFFAOYSA-N
MW495.03 g/mol
LogP9.47
Rot. Bonds5

About 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine

2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 169004297) has the molecular formula C34H23ClN2 and a molecular weight of 495.03 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID169004297
Molecular FormulaC34H23ClN2
Molecular Weight495.03 g/mol
Exact Mass494.15
IUPAC Name2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESClc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)n3)c2)c1
InChIInChI=1S/C34H23ClN2/c35-31-19-9-16-28(22-31)27-15-8-18-30(21-27)34-36-32(25-12-5-2-6-13-25)23-33(37-34)29-17-7-14-26(20-29)24-10-3-1-4-11-24/h1-23H
InChIKeyKQESZXNUHUIUSH-UHFFFAOYSA-N
XLogP9.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine (CID 169004297) is 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine is Clc1cccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)n3)c2)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is KQESZXNUHUIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClN2/c35-31-19-9-16-28(22-31)27-15-8-18-30(21-27)34-36-32(25-12-5-2-6-13-25)23-33(37-34)29-17-7-14-26(20-29)24-10-3-1-4-11-24/h1-23H.
What are the key properties of 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 495.03 g/mol, XLogP of 9.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 169004297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).