2,4-bis(4-phenylphenyl)pyrimidine

C28H20N2 — CID 138636531

IUPAC2,4-bis(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C28H20N2/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-20-29-28(30-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20H
InChIKeyAPBSPRMUTRACIL-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.14
Rot. Bonds4

About 2,4-bis(4-phenylphenyl)pyrimidine

2,4-bis(4-phenylphenyl)pyrimidine (PubChem CID 138636531) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(4-phenylphenyl)pyrimidine
PubChem CID138636531
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name2,4-bis(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C28H20N2/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-20-29-28(30-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20H
InChIKeyAPBSPRMUTRACIL-UHFFFAOYSA-N
XLogP7.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenylpyrimidine;yttrium
CID 59738567
2,4-diphenylpyrimidine;triphenylene
CID 175536318
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
CID 82021904
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine
CID 2767763
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 158908680

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylphenyl)pyrimidine?
The IUPAC name of 2,4-bis(4-phenylphenyl)pyrimidine (CID 138636531) is 2,4-bis(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2,4-bis(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2,4-bis(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2,4-bis(4-phenylphenyl)pyrimidine?
The InChIKey is APBSPRMUTRACIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-20-29-28(30-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20H.
What are the key properties of 2,4-bis(4-phenylphenyl)pyrimidine?
2,4-bis(4-phenylphenyl)pyrimidine has a molecular weight of 384.48 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 138636531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).