4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine

C36H26N2 — CID 166977802

IUPAC4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine
SMILESC1=Cc2c(cccc2-c2ccc(-c3ccnc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)CC1
InChIInChI=1S/C36H26N2/c1-3-11-31-25(7-1)9-5-13-33(31)27-15-19-29(20-16-27)35-23-24-37-36(38-35)30-21-17-28(18-22-30)34-14-6-10-26-8-2-4-12-32(26)34/h2-6,8-24H,1,7H2
InChIKeyUNQIHNZJMJQKJR-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.26
Rot. Bonds4

About 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine

4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine (PubChem CID 166977802) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine
PubChem CID166977802
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine
SMILESC1=Cc2c(cccc2-c2ccc(-c3ccnc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)CC1
InChIInChI=1S/C36H26N2/c1-3-11-31-25(7-1)9-5-13-33(31)27-15-19-29(20-16-27)35-23-24-37-36(38-35)30-21-17-28(18-22-30)34-14-6-10-26-8-2-4-12-32(26)34/h2-6,8-24H,1,7H2
InChIKeyUNQIHNZJMJQKJR-UHFFFAOYSA-N
XLogP9.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile
CID 155079126
2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
CID 166777359
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734254
2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-4-[9,10-bis(4-phenylphenyl)-7-pyrimidin-2-ylanthracen-2-yl]pyrimidine
CID 126513994
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734376
2-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170008977
4-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-1-ylpyrimidine
CID 144884357
CID 175958969
CID 175958969
1,2-dihydrophenanthrene;methane
CID 142233557
2,4-diphenylpyrimidine;triphenylene
CID 175536318
5-(5,6-dihydronaphthalen-1-yl)-1,2-dihydronaphthalene;5-(5,8-dihydronaphthalen-1-yl)-1,4-dihydronaphthalene;8-(7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalene;1-naphthalen-1-ylnaphthalene;1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
CID 159953574
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine (CID 166977802) is 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine is C1=Cc2c(cccc2-c2ccc(-c3ccnc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)CC1.
What is the InChIKey of 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine?
The InChIKey is UNQIHNZJMJQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-3-11-31-25(7-1)9-5-13-33(31)27-15-19-29(20-16-27)35-23-24-37-36(38-35)30-21-17-28(18-22-30)34-14-6-10-26-8-2-4-12-32(26)34/h2-6,8-24H,1,7H2.
What are the key properties of 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine?
4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine has a molecular weight of 486.62 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine is sourced from PubChem (CID 166977802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).