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

C123H81N9 — CID 158842275

IUPAC2-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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccc5ccccc45)c3)n2)c([2H])c1[2H].c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4cc5ccccc5c5ccccc45)n3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)c2)c1
InChIInChI=1S/C45H29N3.C41H27N3.C37H25N3/c1-3-19-37-30(11-1)13-9-23-38(37)32-15-8-17-35(26-32)44-28-43(34-16-7-14-31(25-34)36-18-10-24-46-29-36)47-45(48-44)42-27-33-12-2-4-20-39(33)40-21-5-6-22-41(40)42;1-2-11-30-24-35(21-20-28(30)9-1)41-43-39(33-15-5-13-31(23-33)36-17-8-22-42-27-36)26-40(44-41)34-16-6-14-32(25-34)38-19-7-12-29-10-3-4-18-37(29)38;1-2-11-27(12-3-1)37-39-35(30-16-6-14-28(22-30)32-18-9-21-38-25-32)24-36(40-37)31-17-7-15-29(23-31)34-20-8-13-26-10-4-5-19-33(26)34/h1-29H;1-27H;1-25H/i;;1D,2D,3D,11D,12D
InChIKeyIYJVSKPRXAASQO-OCFFOATRSA-N
MW1690.09 g/mol
LogP31.54
Rot. Bonds15

About 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

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 (PubChem CID 158842275) has the molecular formula C123H81N9 and a molecular weight of 1690.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158842275
Molecular FormulaC123H81N9
Molecular Weight1690.09 g/mol
Exact Mass1688.69
IUPAC Name2-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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccc5ccccc45)c3)n2)c([2H])c1[2H].c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4cc5ccccc5c5ccccc45)n3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)c2)c1
InChIInChI=1S/C45H29N3.C41H27N3.C37H25N3/c1-3-19-37-30(11-1)13-9-23-38(37)32-15-8-17-35(26-32)44-28-43(34-16-7-14-31(25-34)36-18-10-24-46-29-36)47-45(48-44)42-27-33-12-2-4-20-39(33)40-21-5-6-22-41(40)42;1-2-11-30-24-35(21-20-28(30)9-1)41-43-39(33-15-5-13-31(23-33)36-17-8-22-42-27-36)26-40(44-41)34-16-6-14-32(25-34)38-19-7-12-29-10-3-4-18-37(29)38;1-2-11-27(12-3-1)37-39-35(30-16-6-14-28(22-30)32-18-9-21-38-25-32)24-36(40-37)31-17-7-15-29(23-31)34-20-8-13-26-10-4-5-19-33(26)34/h1-29H;1-27H;1-25H/i;;1D,2D,3D,11D,12D
InChIKeyIYJVSKPRXAASQO-OCFFOATRSA-N
XLogP31.54
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001690.09
LogP ≤ 531.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-(3-naphthalen-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161484198
2-(3-naphthalen-1-ylphenyl)-4-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477588
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
2-naphthalen-1-yl-4-(4-phenylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine;2-(2,3,4,5,6-pentadeuteriophenyl)-4-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine;2-phenanthren-9-yl-4-(4-phenylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine
CID 158275338
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
4-(3-naphthalen-1-ylphenyl)-2-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-[2-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159815406
4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(3-phenanthren-9-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 158377697
4-[3-[2-naphthalen-1-yl-4-(3-naphthalen-2-ylphenyl)pyrimidin-5-yl]phenyl]isoquinoline;4-(4-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-5-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
CID 161010123
4-(4-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine
CID 129303120
4-[3-[2-naphthalen-1-yl-4-(3-naphthalen-2-ylphenyl)pyrimidin-5-yl]phenyl]isoquinoline;4-(4-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine
CID 158785244
2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 160517437
4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159166497

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccc5ccccc45)c3)n2)c([2H])c1[2H].c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4cc5ccccc5c5ccccc45)n3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)c2)c1.
What is the InChIKey of 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?
The InChIKey is IYJVSKPRXAASQO-OCFFOATRSA-N. The full InChI is InChI=1S/C45H29N3.C41H27N3.C37H25N3/c1-3-19-37-30(11-1)13-9-23-38(37)32-15-8-17-35(26-32)44-28-43(34-16-7-14-31(25-34)36-18-10-24-46-29-36)47-45(48-44)42-27-33-12-2-4-20-39(33)40-21-5-6-22-41(40)42;1-2-11-30-24-35(21-20-28(30)9-1)41-43-39(33-15-5-13-31(23-33)36-17-8-22-42-27-36)26-40(44-41)34-16-6-14-32(25-34)38-19-7-12-29-10-3-4-18-37(29)38;1-2-11-27(12-3-1)37-39-35(30-16-6-14-28(22-30)32-18-9-21-38-25-32)24-36(40-37)31-17-7-15-29(23-31)34-20-8-13-26-10-4-5-19-33(26)34/h1-29H;1-27H;1-25H/i;;1D,2D,3D,11D,12D.
What are the key properties of 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?
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 has a molecular weight of 1690.09 g/mol, XLogP of 31.54, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158842275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).