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

C58H40N2 — CID 122647988

IUPAC4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C58H40N2/c1-7-22-41(23-8-1)51-39-52(56(45-30-15-5-16-31-45)57(46-32-17-6-18-33-46)55(51)44-28-13-4-14-29-44)50-37-20-19-36-49(50)47-34-21-35-48(38-47)58-59-53(42-24-9-2-10-25-42)40-54(60-58)43-26-11-3-12-27-43/h1-40H
InChIKeyWPSAAWKYHWEYMY-UHFFFAOYSA-N
MW764.97 g/mol
LogP15.48
Rot. Bonds9

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

4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine (PubChem CID 122647988) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
PubChem CID122647988
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C58H40N2/c1-7-22-41(23-8-1)51-39-52(56(45-30-15-5-16-31-45)57(46-32-17-6-18-33-46)55(51)44-28-13-4-14-29-44)50-37-20-19-36-49(50)47-34-21-35-48(38-47)58-59-53(42-24-9-2-10-25-42)40-54(60-58)43-26-11-3-12-27-43/h1-40H
InChIKeyWPSAAWKYHWEYMY-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-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647992
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
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
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363817
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
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
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363662
4,6-bis(4-phenylphenyl)-2-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363690

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine (CID 122647988) is 4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine?
The InChIKey is WPSAAWKYHWEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-7-22-41(23-8-1)51-39-52(56(45-30-15-5-16-31-45)57(46-32-17-6-18-33-46)55(51)44-28-13-4-14-29-44)50-37-20-19-36-49(50)47-34-21-35-48(38-47)58-59-53(42-24-9-2-10-25-42)40-54(60-58)43-26-11-3-12-27-43/h1-40H.
What are the key properties of 4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine?
4,6-diphenyl-2-[3-[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-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 122647988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).