2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine

C66H44N4 — CID 122470462

IUPAC2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cc(-c5cccc6c(-c7cc(-c8ccc(-c9ccc(-c%10ccccc%10)cc9)cc8)nc(-c8ccccc8)n7)cccc56)nc(-c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C66H44N4/c1-5-15-45(16-6-1)47-27-31-49(32-28-47)51-35-39-53(40-36-51)61-43-63(69-65(67-61)55-19-9-3-10-20-55)59-25-13-24-58-57(59)23-14-26-60(58)64-44-62(68-66(70-64)56-21-11-4-12-22-56)54-41-37-52(38-42-54)50-33-29-48(30-34-50)46-17-7-2-8-18-46/h1-44H
InChIKeyQSWRUBCMJJIWHG-UHFFFAOYSA-N
MW893.11 g/mol
LogP17.09
Rot. Bonds10

About 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine

2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine (PubChem CID 122470462) has the molecular formula C66H44N4 and a molecular weight of 893.11 g/mol. Its IUPAC name is 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
PubChem CID122470462
Molecular FormulaC66H44N4
Molecular Weight893.11 g/mol
Exact Mass892.36
IUPAC Name2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cc(-c5cccc6c(-c7cc(-c8ccc(-c9ccc(-c%10ccccc%10)cc9)cc8)nc(-c8ccccc8)n7)cccc56)nc(-c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C66H44N4/c1-5-15-45(16-6-1)47-27-31-49(32-28-47)51-35-39-53(40-36-51)61-43-63(69-65(67-61)55-19-9-3-10-20-55)59-25-13-24-58-57(59)23-14-26-60(58)64-44-62(68-66(70-64)56-21-11-4-12-22-56)54-41-37-52(38-42-54)50-33-29-48(30-34-50)46-17-7-2-8-18-46/h1-44H
InChIKeyQSWRUBCMJJIWHG-UHFFFAOYSA-N
XLogP17.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.11
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123
N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 58028696

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine?
The IUPAC name of 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine (CID 122470462) is 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine?
The canonical SMILES for 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine is c1ccc(-c2ccc(-c3ccc(-c4cc(-c5cccc6c(-c7cc(-c8ccc(-c9ccc(-c%10ccccc%10)cc9)cc8)nc(-c8ccccc8)n7)cccc56)nc(-c5ccccc5)n4)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine?
The InChIKey is QSWRUBCMJJIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4/c1-5-15-45(16-6-1)47-27-31-49(32-28-47)51-35-39-53(40-36-51)61-43-63(69-65(67-61)55-19-9-3-10-20-55)59-25-13-24-58-57(59)23-14-26-60(58)64-44-62(68-66(70-64)56-21-11-4-12-22-56)54-41-37-52(38-42-54)50-33-29-48(30-34-50)46-17-7-2-8-18-46/h1-44H.
What are the key properties of 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine?
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine has a molecular weight of 893.11 g/mol, XLogP of 17.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine is sourced from PubChem (CID 122470462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).