5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine

C48H32N6 — CID 67990666

IUPAC5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cnc(-c3cc(-c4ncc(-c5ccccc5)cn4)c(-c4ccc(-c5ccccn5)cc4)cc3-c3ccc(-c4ccccn4)cc3)nc2)cc1
InChIInChI=1S/C48H32N6/c1-3-11-33(12-4-1)39-29-51-47(52-30-39)43-28-44(48-53-31-40(32-54-48)34-13-5-2-6-14-34)42(36-19-23-38(24-20-36)46-16-8-10-26-50-46)27-41(43)35-17-21-37(22-18-35)45-15-7-9-25-49-45/h1-32H
InChIKeyUMEJNISRGMOCCA-UHFFFAOYSA-N
MW692.83 g/mol
LogP11.39
Rot. Bonds8

About 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine

5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine (PubChem CID 67990666) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine
PubChem CID67990666
Molecular FormulaC48H32N6
Molecular Weight692.83 g/mol
Exact Mass692.27
IUPAC Name5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cnc(-c3cc(-c4ncc(-c5ccccc5)cn4)c(-c4ccc(-c5ccccn5)cc4)cc3-c3ccc(-c4ccccn4)cc3)nc2)cc1
InChIInChI=1S/C48H32N6/c1-3-11-33(12-4-1)39-29-51-47(52-30-39)43-28-44(48-53-31-40(32-54-48)34-13-5-2-6-14-34)42(36-19-23-38(24-20-36)46-16-8-10-26-50-46)27-41(43)35-17-21-37(22-18-35)45-15-7-9-25-49-45/h1-32H
InChIKeyUMEJNISRGMOCCA-UHFFFAOYSA-N
XLogP11.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine (CID 67990666) is 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cnc(-c3cc(-c4ncc(-c5ccccc5)cn4)c(-c4ccc(-c5ccccn5)cc4)cc3-c3ccc(-c4ccccn4)cc3)nc2)cc1.
What is the InChIKey of 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The InChIKey is UMEJNISRGMOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-3-11-33(12-4-1)39-29-51-47(52-30-39)43-28-44(48-53-31-40(32-54-48)34-13-5-2-6-14-34)42(36-19-23-38(24-20-36)46-16-8-10-26-50-46)27-41(43)35-17-21-37(22-18-35)45-15-7-9-25-49-45/h1-32H.
What are the key properties of 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine has a molecular weight of 692.83 g/mol, XLogP of 11.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[5-(5-phenylpyrimidin-2-yl)-2,4-bis(4-pyridin-2-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 67990666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).