2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline

C51H33N5 — CID 170000154

IUPAC2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccc7ccccc7n6)n5)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-35(15-5-1)46-32-47(36-16-6-2-7-17-36)54-50(53-46)39-26-24-34(25-27-39)40-29-30-43(42-22-12-11-21-41(40)42)49-33-48(37-18-8-3-9-19-37)55-51(56-49)45-31-28-38-20-10-13-23-44(38)52-45/h1-33H
InChIKeyHZEPDRFNQCVSJL-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.64
Rot. Bonds7

About 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline

2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline (PubChem CID 170000154) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
PubChem CID170000154
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccc7ccccc7n6)n5)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-35(15-5-1)46-32-47(36-16-6-2-7-17-36)54-50(53-46)39-26-24-34(25-27-39)40-29-30-43(42-22-12-11-21-41(40)42)49-33-48(37-18-8-3-9-19-37)55-51(56-49)45-31-28-38-20-10-13-23-44(38)52-45/h1-33H
InChIKeyHZEPDRFNQCVSJL-UHFFFAOYSA-N
XLogP12.64
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000157
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123
2-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 168797186
9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
CID 168797176
2-[4-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 168797174
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
3-[4-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185318
4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 170188925
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
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline
CID 168797147
4-[4-[6-phenyl-2-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 130264070
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline?
The IUPAC name of 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline (CID 170000154) is 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline.
What is the SMILES notation for 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline?
The canonical SMILES for 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccc7ccccc7n6)n5)c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline?
The InChIKey is HZEPDRFNQCVSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-14-35(15-5-1)46-32-47(36-16-6-2-7-17-36)54-50(53-46)39-26-24-34(25-27-39)40-29-30-43(42-22-12-11-21-41(40)42)49-33-48(37-18-8-3-9-19-37)55-51(56-49)45-31-28-38-20-10-13-23-44(38)52-45/h1-33H.
What are the key properties of 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline?
2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline has a molecular weight of 715.86 g/mol, XLogP of 12.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline is sourced from PubChem (CID 170000154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).