4-naphthalen-1-yl-2,6-diphenylpyrimidine

C26H18N2 — CID 71273252

IUPAC4-naphthalen-1-yl-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H18N2/c1-3-11-20(12-4-1)24-18-25(28-26(27-24)21-13-5-2-6-14-21)23-17-9-15-19-10-7-8-16-22(19)23/h1-18H
InChIKeyDDAHNFWUCUIDPO-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.63
Rot. Bonds3

About 4-naphthalen-1-yl-2,6-diphenylpyrimidine

4-naphthalen-1-yl-2,6-diphenylpyrimidine (PubChem CID 71273252) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-naphthalen-1-yl-2,6-diphenylpyrimidine
PubChem CID71273252
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name4-naphthalen-1-yl-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H18N2/c1-3-11-20(12-4-1)24-18-25(28-26(27-24)21-13-5-2-6-14-21)23-17-9-15-19-10-7-8-16-22(19)23/h1-18H
InChIKeyDDAHNFWUCUIDPO-UHFFFAOYSA-N
XLogP6.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
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
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 170025705
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
2-[10-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 135245605
4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 130392242
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123
N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 58028696
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
4-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 167413057

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2,6-diphenylpyrimidine?
The IUPAC name of 4-naphthalen-1-yl-2,6-diphenylpyrimidine (CID 71273252) is 4-naphthalen-1-yl-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-naphthalen-1-yl-2,6-diphenylpyrimidine?
The canonical SMILES for 4-naphthalen-1-yl-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-2,6-diphenylpyrimidine?
The InChIKey is DDAHNFWUCUIDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c1-3-11-20(12-4-1)24-18-25(28-26(27-24)21-13-5-2-6-14-21)23-17-9-15-19-10-7-8-16-22(19)23/h1-18H.
What are the key properties of 4-naphthalen-1-yl-2,6-diphenylpyrimidine?
4-naphthalen-1-yl-2,6-diphenylpyrimidine has a molecular weight of 358.44 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2,6-diphenylpyrimidine is sourced from PubChem (CID 71273252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).