2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine

C48H35N3 — CID 134320986

IUPAC2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1CC=Cc2ccc(-c3ccc(-c4nc(-c5ccc(-c6cccnc6)cc5)cc(-c5cccc(-c6ccc7ccccc7c6)c5)n4)cc3)cc21
InChIInChI=1S/C48H35N3/c1-32-7-4-10-36-19-25-42(29-45(32)36)34-16-22-38(23-17-34)48-50-46(37-20-14-35(15-21-37)44-13-6-26-49-31-44)30-47(51-48)43-12-5-11-40(28-43)41-24-18-33-8-2-3-9-39(33)27-41/h2-6,8-32H,7H2,1H3
InChIKeyNOYVGLBFWBOPHO-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.55
Rot. Bonds6

About 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine

2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 134320986) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID134320986
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1CC=Cc2ccc(-c3ccc(-c4nc(-c5ccc(-c6cccnc6)cc5)cc(-c5cccc(-c6ccc7ccccc7c6)c5)n4)cc3)cc21
InChIInChI=1S/C48H35N3/c1-32-7-4-10-36-19-25-42(29-45(32)36)34-16-22-38(23-17-34)48-50-46(37-20-14-35(15-21-37)44-13-6-26-49-31-44)30-47(51-48)43-12-5-11-40(28-43)41-24-18-33-8-2-3-9-39(33)27-41/h2-6,8-32H,7H2,1H3
InChIKeyNOYVGLBFWBOPHO-UHFFFAOYSA-N
XLogP12.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2-[3-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 134167649
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
7-[3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]phenyl]isoquinoline
CID 166974763
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 146382700
2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192
4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 159291007
4-[3-(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]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 167411211
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]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 167410665

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 134320986) is 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is CC1CC=Cc2ccc(-c3ccc(-c4nc(-c5ccc(-c6cccnc6)cc5)cc(-c5cccc(-c6ccc7ccccc7c6)c5)n4)cc3)cc21.
What is the InChIKey of 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is NOYVGLBFWBOPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-32-7-4-10-36-19-25-42(29-45(32)36)34-16-22-38(23-17-34)48-50-46(37-20-14-35(15-21-37)44-13-6-26-49-31-44)30-47(51-48)43-12-5-11-40(28-43)41-24-18-33-8-2-3-9-39(33)27-41/h2-6,8-32H,7H2,1H3.
What are the key properties of 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 653.83 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 134320986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).