4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine

C30H19ClN2 — CID 141478206

IUPAC4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
SMILESClc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C30H19ClN2/c31-27-15-13-22(14-16-27)28-19-29(25-11-9-20-5-1-3-7-23(20)17-25)33-30(32-28)26-12-10-21-6-2-4-8-24(21)18-26/h1-19H
InChIKeyWZCQFNBNEWBVRB-UHFFFAOYSA-N
MW442.95 g/mol
LogP8.44
Rot. Bonds3

About 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine

4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine (PubChem CID 141478206) has the molecular formula C30H19ClN2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
PubChem CID141478206
Molecular FormulaC30H19ClN2
Molecular Weight442.95 g/mol
Exact Mass442.12
IUPAC Name4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
SMILESClc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C30H19ClN2/c31-27-15-13-22(14-16-27)28-19-29(25-11-9-20-5-1-3-7-23(20)17-25)33-30(32-28)26-12-10-21-6-2-4-8-24(21)18-26/h1-19H
InChIKeyWZCQFNBNEWBVRB-UHFFFAOYSA-N
XLogP8.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]sulfanylphenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 140904971
2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
CID 88558011
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
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-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine
CID 137433549

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine (CID 141478206) is 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine is Clc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The InChIKey is WZCQFNBNEWBVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClN2/c31-27-15-13-22(14-16-27)28-19-29(25-11-9-20-5-1-3-7-23(20)17-25)33-30(32-28)26-12-10-21-6-2-4-8-24(21)18-26/h1-19H.
What are the key properties of 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine?
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine has a molecular weight of 442.95 g/mol, XLogP of 8.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine is sourced from PubChem (CID 141478206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).