2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine

C78H56N6 — CID 162124430

IUPAC2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
SMILES[2H]C1=C([2H])C([2H])C([2H])C(C2=NC(c3cccc(-c4ccc5ccccc5c4)c3)C=C(c3cccc(-c4cccnc4)c3)N2)=C1[2H].c1cncc(-c2cccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4ccc5ccccc5c4)n3)c2)c1
InChIInChI=1S/C41H27N3.C37H29N3/c1-3-10-30-22-34(19-17-28(30)8-1)32-12-5-14-35(23-32)39-26-40(36-15-6-13-33(24-36)38-16-7-21-42-27-38)44-41(43-39)37-20-18-29-9-2-4-11-31(29)25-37;1-2-10-27(11-3-1)37-39-35(24-36(40-37)33-16-7-14-30(23-33)34-17-8-20-38-25-34)32-15-6-13-29(22-32)31-19-18-26-9-4-5-12-28(26)21-31/h1-27H;1-2,4-10,12-25,35H,3,11H2,(H,39,40)/i;1D,2D,3D,10D,11D
InChIKeyZHVMTQFEYKALFA-WTMRXYJGSA-N
MW1082.38 g/mol
LogP19.44
Rot. Bonds10

About 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine

2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine (PubChem CID 162124430) has the molecular formula C78H56N6 and a molecular weight of 1082.38 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
PubChem CID162124430
Molecular FormulaC78H56N6
Molecular Weight1082.38 g/mol
Exact Mass1081.49
IUPAC Name2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
SMILES[2H]C1=C([2H])C([2H])C([2H])C(C2=NC(c3cccc(-c4ccc5ccccc5c4)c3)C=C(c3cccc(-c4cccnc4)c3)N2)=C1[2H].c1cncc(-c2cccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4ccc5ccccc5c4)n3)c2)c1
InChIInChI=1S/C41H27N3.C37H29N3/c1-3-10-30-22-34(19-17-28(30)8-1)32-12-5-14-35(23-32)39-26-40(36-15-6-13-33(24-36)38-16-7-21-42-27-38)44-41(43-39)37-20-18-29-9-2-4-11-31(29)25-37;1-2-10-27(11-3-1)37-39-35(24-36(40-37)33-16-7-14-30(23-33)34-17-8-20-38-25-34)32-15-6-13-29(22-32)31-19-18-26-9-4-5-12-28(26)21-31/h1-27H;1-2,4-10,12-25,35H,3,11H2,(H,39,40)/i;1D,2D,3D,10D,11D
InChIKeyZHVMTQFEYKALFA-WTMRXYJGSA-N
XLogP19.44
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.38
LogP ≤ 519.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine with MolForge

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Related Compounds

4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
CID 121477675
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
7-[3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]phenyl]isoquinoline
CID 166974763
2-[3-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 134167649
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
2,6-dinaphthalen-2-yl-4-(4-pyridin-3-ylphenyl)pyridine
CID 122427561
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine
CID 145302608
2-naphthalen-2-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 158842275
7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
CID 167339318

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine (CID 162124430) is 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine is [2H]C1=C([2H])C([2H])C([2H])C(C2=NC(c3cccc(-c4ccc5ccccc5c4)c3)C=C(c3cccc(-c4cccnc4)c3)N2)=C1[2H].c1cncc(-c2cccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4ccc5ccccc5c4)n3)c2)c1.
What is the InChIKey of 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine?
The InChIKey is ZHVMTQFEYKALFA-WTMRXYJGSA-N. The full InChI is InChI=1S/C41H27N3.C37H29N3/c1-3-10-30-22-34(19-17-28(30)8-1)32-12-5-14-35(23-32)39-26-40(36-15-6-13-33(24-36)38-16-7-21-42-27-38)44-41(43-39)37-20-18-29-9-2-4-11-31(29)25-37;1-2-10-27(11-3-1)37-39-35(24-36(40-37)33-16-7-14-30(23-33)34-17-8-20-38-25-34)32-15-6-13-29(22-32)31-19-18-26-9-4-5-12-28(26)21-31/h1-27H;1-2,4-10,12-25,35H,3,11H2,(H,39,40)/i;1D,2D,3D,10D,11D.
What are the key properties of 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine?
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine has a molecular weight of 1082.38 g/mol, XLogP of 19.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 162124430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).