4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine

C54H36N4 — CID 121338959

IUPAC4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H36N4/c1-5-15-38(16-6-1)49-35-51(57-53(55-49)41-19-9-3-10-20-41)40-29-27-37(28-30-40)47-26-14-24-45-33-44(31-32-48(45)47)43-23-13-25-46(34-43)52-36-50(39-17-7-2-8-18-39)56-54(58-52)42-21-11-4-12-22-42/h1-36H
InChIKeySHBNPBCMIPTRRK-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.76
Rot. Bonds8

About 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine

4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 121338959) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
PubChem CID121338959
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H36N4/c1-5-15-38(16-6-1)49-35-51(57-53(55-49)41-19-9-3-10-20-41)40-29-27-37(28-30-40)47-26-14-24-45-33-44(31-32-48(45)47)43-23-13-25-46(34-43)52-36-50(39-17-7-2-8-18-39)56-54(58-52)42-21-11-4-12-22-42/h1-36H
InChIKeySHBNPBCMIPTRRK-UHFFFAOYSA-N
XLogP13.76
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
2-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159163792
2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
CID 118075155
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
9-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258076
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865
8-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568890
4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
CID 166057473
2-[3-[5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 158729829
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine (CID 121338959) is 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc45)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is SHBNPBCMIPTRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-5-15-38(16-6-1)49-35-51(57-53(55-49)41-19-9-3-10-20-41)40-29-27-37(28-30-40)47-26-14-24-45-33-44(31-32-48(45)47)43-23-13-25-46(34-43)52-36-50(39-17-7-2-8-18-39)56-54(58-52)42-21-11-4-12-22-42/h1-36H.
What are the key properties of 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 740.91 g/mol, XLogP of 13.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 121338959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).