4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine

C58H40N2 — CID 122647992

IUPAC4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C58H40N2/c1-7-23-41(24-8-1)51-39-52(56(45-31-15-5-16-32-45)57(46-33-17-6-18-34-46)55(51)44-29-13-4-14-30-44)49-37-20-19-35-47(49)48-36-21-22-38-50(48)58-59-53(42-25-9-2-10-26-42)40-54(60-58)43-27-11-3-12-28-43/h1-40H
InChIKeySJEARPANTIVJMY-UHFFFAOYSA-N
MW764.97 g/mol
LogP15.48
Rot. Bonds9

About 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine

4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine (PubChem CID 122647992) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
PubChem CID122647992
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C58H40N2/c1-7-23-41(24-8-1)51-39-52(56(45-31-15-5-16-32-45)57(46-33-17-6-18-34-46)55(51)44-29-13-4-14-30-44)49-37-20-19-35-47(49)48-36-21-22-38-50(48)58-59-53(42-25-9-2-10-26-42)40-54(60-58)43-27-11-3-12-28-43/h1-40H
InChIKeySJEARPANTIVJMY-UHFFFAOYSA-N
XLogP15.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647988
4,6-bis(3-phenylphenyl)-2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine;4,6-bis(4-phenylphenyl)-2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine;4-(3,5-diphenylphenyl)-6-phenyl-2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine;4-(2-phenylphenyl)-6-(3-phenylphenyl)-2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine
CID 157177421
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4-phenylphenyl)-6-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine
CID 154987166
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine (CID 122647992) is 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine?
The InChIKey is SJEARPANTIVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-7-23-41(24-8-1)51-39-52(56(45-31-15-5-16-32-45)57(46-33-17-6-18-34-46)55(51)44-29-13-4-14-30-44)49-37-20-19-35-47(49)48-36-21-22-38-50(48)58-59-53(42-25-9-2-10-26-42)40-54(60-58)43-27-11-3-12-28-43/h1-40H.
What are the key properties of 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine?
4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine has a molecular weight of 764.97 g/mol, XLogP of 15.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 122647992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).