4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline

C40H26N4 — CID 118582443

IUPAC4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc5ccccc45)cc(-c4ccnc5ccccc45)c3)n2)cc1
InChIInChI=1S/C40H26N4/c1-3-11-27(12-4-1)38-26-39(28-13-5-2-6-14-28)44-40(43-38)31-24-29(32-19-21-41-36-17-9-7-15-34(32)36)23-30(25-31)33-20-22-42-37-18-10-8-16-35(33)37/h1-26H
InChIKeyGZQOQEATHXVPQC-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline

4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline (PubChem CID 118582443) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline.

Molecular Properties

Compound Name4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
PubChem CID118582443
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc5ccccc45)cc(-c4ccnc5ccccc45)c3)n2)cc1
InChIInChI=1S/C40H26N4/c1-3-11-27(12-4-1)38-26-39(28-13-5-2-6-14-28)44-40(43-38)31-24-29(32-19-21-41-36-17-9-7-15-34(32)36)23-30(25-31)33-20-22-42-37-18-10-8-16-35(33)37/h1-26H
InChIKeyGZQOQEATHXVPQC-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline
CID 122431219
4-[4-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 130264401
4-[4-[2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130265040
4-[4-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264941
4-[4-[6-phenyl-2-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 130264070
4-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130263336
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline
CID 158554997
5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
CID 154949961
4-naphthalen-2-ylquinoline
CID 14173372

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline?
The IUPAC name of 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline (CID 118582443) is 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline.
What is the SMILES notation for 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline?
The canonical SMILES for 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc5ccccc45)cc(-c4ccnc5ccccc45)c3)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline?
The InChIKey is GZQOQEATHXVPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-11-27(12-4-1)38-26-39(28-13-5-2-6-14-28)44-40(43-38)31-24-29(32-19-21-41-36-17-9-7-15-34(32)36)23-30(25-31)33-20-22-42-37-18-10-8-16-35(33)37/h1-26H.
What are the key properties of 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline?
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline is sourced from PubChem (CID 118582443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).