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

C111H75N9 — CID 158275338

IUPAC2-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
SMILES[2H]c1c([2H])c([2H])c(-c2ncc(-c3cccc(-c4cccnc4)c3)c(-c3cccc(-c4ccccc4)c3)n2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)ncc3-c3cccc(-c4cccnc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)ncc3-c3cccc(-c4cccnc4)c3)cc2)cc1
InChIInChI=1S/C41H27N3.C37H25N3.C33H23N3/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)40-39(32-14-8-13-31(24-32)34-15-9-23-42-26-34)27-43-41(44-40)38-25-33-12-4-5-16-35(33)36-17-6-7-18-37(36)38;1-2-9-26(10-3-1)27-18-20-29(21-19-27)36-35(31-14-6-13-30(23-31)32-15-8-22-38-24-32)25-39-37(40-36)34-17-7-12-28-11-4-5-16-33(28)34;1-3-10-24(11-4-1)26-14-8-17-29(21-26)32-31(23-35-33(36-32)25-12-5-2-6-13-25)28-16-7-15-27(20-28)30-18-9-19-34-22-30/h1-27H;1-25H;1-23H/i;;2D,5D,6D,12D,13D
InChIKeyGJNPZOJQOAMJDR-AEPAJXOJSA-N
MW1539.91 g/mol
LogP28.08
Rot. Bonds15

About 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

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 (PubChem CID 158275338) has the molecular formula C111H75N9 and a molecular weight of 1539.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158275338
Molecular FormulaC111H75N9
Molecular Weight1539.91 g/mol
Exact Mass1538.65
IUPAC Name2-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
SMILES[2H]c1c([2H])c([2H])c(-c2ncc(-c3cccc(-c4cccnc4)c3)c(-c3cccc(-c4ccccc4)c3)n2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)ncc3-c3cccc(-c4cccnc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)ncc3-c3cccc(-c4cccnc4)c3)cc2)cc1
InChIInChI=1S/C41H27N3.C37H25N3.C33H23N3/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)40-39(32-14-8-13-31(24-32)34-15-9-23-42-26-34)27-43-41(44-40)38-25-33-12-4-5-16-35(33)36-17-6-7-18-37(36)38;1-2-9-26(10-3-1)27-18-20-29(21-19-27)36-35(31-14-6-13-30(23-31)32-15-8-22-38-24-32)25-39-37(40-36)34-17-7-12-28-11-4-5-16-33(28)34;1-3-10-24(11-4-1)26-14-8-17-29(21-26)32-31(23-35-33(36-32)25-12-5-2-6-13-25)28-16-7-15-27(20-28)30-18-9-19-34-22-30/h1-27H;1-25H;1-23H/i;;2D,5D,6D,12D,13D
InChIKeyGJNPZOJQOAMJDR-AEPAJXOJSA-N
XLogP28.08
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001539.91
LogP ≤ 528.08
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-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 with MolForge

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Related Compounds

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
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
2-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477455
4-(4-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine
CID 129303120
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
6-[4-(3-phenanthren-9-ylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]benzene-1,2,3,4,5-pentol
CID 145093934
1-methyl-4-phenylbenzene;2-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)-4-(3-pyridin-3-ylphenyl)pyrimidine;4-[3-[6-(4-phenylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159251404
2-(5,6-didehydronaphthalen-1-yl)-4-(4-phenylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine
CID 134321298
2-(3-naphthalen-1-ylphenyl)-4-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477588
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 162774199
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2ncc(-c3cccc(-c4cccnc4)c3)c(-c3cccc(-c4ccccc4)c3)n2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)ncc3-c3cccc(-c4cccnc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)ncc3-c3cccc(-c4cccnc4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is GJNPZOJQOAMJDR-AEPAJXOJSA-N. The full InChI is InChI=1S/C41H27N3.C37H25N3.C33H23N3/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)40-39(32-14-8-13-31(24-32)34-15-9-23-42-26-34)27-43-41(44-40)38-25-33-12-4-5-16-35(33)36-17-6-7-18-37(36)38;1-2-9-26(10-3-1)27-18-20-29(21-19-27)36-35(31-14-6-13-30(23-31)32-15-8-22-38-24-32)25-39-37(40-36)34-17-7-12-28-11-4-5-16-33(28)34;1-3-10-24(11-4-1)26-14-8-17-29(21-26)32-31(23-35-33(36-32)25-12-5-2-6-13-25)28-16-7-15-27(20-28)30-18-9-19-34-22-30/h1-27H;1-25H;1-23H/i;;2D,5D,6D,12D,13D.
What are the key properties of 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?
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 has a molecular weight of 1539.91 g/mol, XLogP of 28.08, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158275338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).