4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine

C28H18N4 — CID 11618422

IUPAC4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
SMILESc1ccc2c(-c3cc(-c4cc(-c5cccc6ccccc56)ncn4)ncn3)cccc2c1
InChIInChI=1S/C28H18N4/c1-3-11-21-19(7-1)9-5-13-23(21)25-15-27(31-17-29-25)28-16-26(30-18-32-28)24-14-6-10-20-8-2-4-12-22(20)24/h1-18H
InChIKeyGGBYWUMAWXUKPT-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.57
Rot. Bonds3

About 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine

4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine (PubChem CID 11618422) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
PubChem CID11618422
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
SMILESc1ccc2c(-c3cc(-c4cc(-c5cccc6ccccc56)ncn4)ncn3)cccc2c1
InChIInChI=1S/C28H18N4/c1-3-11-21-19(7-1)9-5-13-23(21)25-15-27(31-17-29-25)28-16-26(30-18-32-28)24-14-6-10-20-8-2-4-12-22(20)24/h1-18H
InChIKeyGGBYWUMAWXUKPT-UHFFFAOYSA-N
XLogP6.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 138744139
7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
CID 168908169
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-1-ylpyrimidine
CID 144884357
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine?
The IUPAC name of 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine (CID 11618422) is 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine.
What is the SMILES notation for 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine?
The canonical SMILES for 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine is c1ccc2c(-c3cc(-c4cc(-c5cccc6ccccc56)ncn4)ncn3)cccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine?
The InChIKey is GGBYWUMAWXUKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-3-11-21-19(7-1)9-5-13-23(21)25-15-27(31-17-29-25)28-16-26(30-18-32-28)24-14-6-10-20-8-2-4-12-22(20)24/h1-18H.
What are the key properties of 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine?
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine has a molecular weight of 410.48 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine is sourced from PubChem (CID 11618422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).