5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine

C38H26N4 — CID 140968105

IUPAC5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
SMILESc1ccc(-c2ccccc2-c2cnc(-c3ccc(-c4ncc(-c5ccccc5-c5ccccc5)cn4)cc3)nc2)cc1
InChIInChI=1S/C38H26N4/c1-3-11-27(12-4-1)33-15-7-9-17-35(33)31-23-39-37(40-24-31)29-19-21-30(22-20-29)38-41-25-32(26-42-38)36-18-10-8-16-34(36)28-13-5-2-6-14-28/h1-26H
InChIKeyRHEUVWRQRLKJQZ-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.27
Rot. Bonds6

About 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine

5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine (PubChem CID 140968105) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
PubChem CID140968105
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
SMILESc1ccc(-c2ccccc2-c2cnc(-c3ccc(-c4ncc(-c5ccccc5-c5ccccc5)cn4)cc3)nc2)cc1
InChIInChI=1S/C38H26N4/c1-3-11-27(12-4-1)33-15-7-9-17-35(33)31-23-39-37(40-24-31)29-19-21-30(22-20-29)38-41-25-32(26-42-38)36-18-10-8-16-34(36)28-13-5-2-6-14-28/h1-26H
InChIKeyRHEUVWRQRLKJQZ-UHFFFAOYSA-N
XLogP9.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine?
The IUPAC name of 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine (CID 140968105) is 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine.
What is the SMILES notation for 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine?
The canonical SMILES for 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine is c1ccc(-c2ccccc2-c2cnc(-c3ccc(-c4ncc(-c5ccccc5-c5ccccc5)cn4)cc3)nc2)cc1.
What is the InChIKey of 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine?
The InChIKey is RHEUVWRQRLKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-3-11-27(12-4-1)33-15-7-9-17-35(33)31-23-39-37(40-24-31)29-19-21-30(22-20-29)38-41-25-32(26-42-38)36-18-10-8-16-34(36)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine?
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine has a molecular weight of 538.65 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine is sourced from PubChem (CID 140968105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).