2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine

C28H19ClN2 — CID 118029072

IUPAC2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
SMILESClc1nccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)c2)n1
InChIInChI=1S/C28H19ClN2/c29-28-30-16-15-27(31-28)26-18-24(21-9-5-2-6-10-21)17-25(19-26)23-13-11-22(12-14-23)20-7-3-1-4-8-20/h1-19H
InChIKeyHXFITCQEMKBBCK-UHFFFAOYSA-N
MW418.93 g/mol
LogP7.80
Rot. Bonds4

About 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine

2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine (PubChem CID 118029072) has the molecular formula C28H19ClN2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
PubChem CID118029072
Molecular FormulaC28H19ClN2
Molecular Weight418.93 g/mol
Exact Mass418.12
IUPAC Name2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
SMILESClc1nccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)c2)n1
InChIInChI=1S/C28H19ClN2/c29-28-30-16-15-27(31-28)26-18-24(21-9-5-2-6-10-21)17-25(19-26)23-13-11-22(12-14-23)20-7-3-1-4-8-20/h1-19H
InChIKeyHXFITCQEMKBBCK-UHFFFAOYSA-N
XLogP7.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156767945
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
2-chloro-4-naphthalen-2-ylpyrimidine;ethane
CID 90837684
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
CID 88556442
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;4-[3,5-bis(3,4-diphenylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158308995
4-(2-chloropyrimidin-4-yl)-2-methylbenzenethiol
CID 174529253
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine?
The IUPAC name of 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine (CID 118029072) is 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine is Clc1nccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)c2)n1.
What is the InChIKey of 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine?
The InChIKey is HXFITCQEMKBBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2/c29-28-30-16-15-27(31-28)26-18-24(21-9-5-2-6-10-21)17-25(19-26)23-13-11-22(12-14-23)20-7-3-1-4-8-20/h1-19H.
What are the key properties of 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine?
2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine has a molecular weight of 418.93 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 118029072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).