2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine

C40H26N4 — CID 118582461

IUPAC2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)ccc2c1
InChIInChI=1S/C40H26N4/c1-3-7-31-21-33(11-9-27(31)5-1)38-26-39(34-12-10-28-6-2-4-8-32(28)22-34)44-40(43-38)37-24-35(29-13-17-41-18-14-29)23-36(25-37)30-15-19-42-20-16-30/h1-26H
InChIKeyPBOYRKGYWOHYIW-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine

2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine (PubChem CID 118582461) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
PubChem CID118582461
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)ccc2c1
InChIInChI=1S/C40H26N4/c1-3-7-31-21-33(11-9-27(31)5-1)38-26-39(34-12-10-28-6-2-4-8-32(28)22-34)44-40(43-38)37-24-35(29-13-17-41-18-14-29)23-36(25-37)30-15-19-42-20-16-30/h1-26H
InChIKeyPBOYRKGYWOHYIW-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-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 118314002
2-[3-(2,6-diphenyl-4-pyridinyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 158243119
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
6-(2-anthracen-2-yl-6-isoquinolin-6-ylpyrimidin-4-yl)isoquinoline
CID 154599114
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine?
The IUPAC name of 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine (CID 118582461) is 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine?
The canonical SMILES for 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine is c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)ccc2c1.
What is the InChIKey of 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine?
The InChIKey is PBOYRKGYWOHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-7-31-21-33(11-9-27(31)5-1)38-26-39(34-12-10-28-6-2-4-8-32(28)22-34)44-40(43-38)37-24-35(29-13-17-41-18-14-29)23-36(25-37)30-15-19-42-20-16-30/h1-26H.
What are the key properties of 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine?
2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine 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 2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine is sourced from PubChem (CID 118582461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).