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

C44H30N4 — CID 58947716

IUPAC2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
SMILESc1ccc(-c2ncc(-c3cnc(-c4ccccc4)nc3-c3ccccc3-c3ccccc3)c(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C44H30N4/c1-5-17-31(18-6-1)35-25-13-15-27-37(35)41-39(29-45-43(47-41)33-21-9-3-10-22-33)40-30-46-44(34-23-11-4-12-24-34)48-42(40)38-28-16-14-26-36(38)32-19-7-2-8-20-32/h1-30H
InChIKeyINQBLPWMXSRUER-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.94
Rot. Bonds7

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

2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine (PubChem CID 58947716) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
PubChem CID58947716
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
SMILESc1ccc(-c2ncc(-c3cnc(-c4ccccc4)nc3-c3ccccc3-c3ccccc3)c(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C44H30N4/c1-5-17-31(18-6-1)35-25-13-15-27-37(35)41-39(29-45-43(47-41)33-21-9-3-10-22-33)40-30-46-44(34-23-11-4-12-24-34)48-42(40)38-28-16-14-26-36(38)32-19-7-2-8-20-32/h1-30H
InChIKeyINQBLPWMXSRUER-UHFFFAOYSA-N
XLogP10.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

perchloric acid;2,4,5-triphenylpyrimidine
CID 159862899
4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 58731980
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
4-[10-(4-phenylphenyl)anthracen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 138553326
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine
CID 132536986
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
12-[3-(3,8-diphenylpyren-1-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466450
4,5-dichloro-2-phenylpyrimidine
CID 59762779
5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 62900567
2-phenylquinazoline
CID 158733567
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine?
The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine (CID 58947716) is 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine?
The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine is c1ccc(-c2ncc(-c3cnc(-c4ccccc4)nc3-c3ccccc3-c3ccccc3)c(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine?
The InChIKey is INQBLPWMXSRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-5-17-31(18-6-1)35-25-13-15-27-37(35)41-39(29-45-43(47-41)33-21-9-3-10-22-33)40-30-46-44(34-23-11-4-12-24-34)48-42(40)38-28-16-14-26-36(38)32-19-7-2-8-20-32/h1-30H.
What are the key properties of 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine?
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine has a molecular weight of 614.75 g/mol, XLogP of 10.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine is sourced from PubChem (CID 58947716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).