4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile

C152H94N14 — CID 157379767

IUPAC4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile
SMILESCc1ccccc1-c1cc(-c2ccc(-c3cccnc3)cc2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.Cc1ccccc1-c1cc(-c2cccc(-c3cccnc3)c2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.N#Cc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc1
InChIInChI=1S/2C38H22N4.2C38H25N3/c39-22-24-6-8-26(9-7-24)34-21-35(27-12-10-25(11-13-27)31-5-2-20-40-23-31)42-38(41-34)33-19-17-30-15-14-28-3-1-4-29-16-18-32(33)37(30)36(28)29;39-23-24-4-6-27(7-5-24)34-22-35(28-10-8-25(9-11-28)26-18-20-40-21-19-26)42-38(41-34)33-17-15-31-13-12-29-2-1-3-30-14-16-32(33)37(31)36(29)30;1-24-7-2-3-13-31(24)35-22-34(29-11-5-10-28(21-29)30-12-6-20-39-23-30)40-38(41-35)33-19-17-27-15-14-25-8-4-9-26-16-18-32(33)37(27)36(25)26;1-24-6-2-3-10-31(24)35-22-34(26-13-11-25(12-14-26)30-9-5-21-39-23-30)40-38(41-35)33-20-18-29-16-15-27-7-4-8-28-17-19-32(33)37(29)36(27)28/h1-21,23H;1-22H;2*2-23H,1H3
InChIKeyBKSWVUBWMBSGQF-UHFFFAOYSA-N
MW2116.52 g/mol
LogP38.11
Rot. Bonds16

About 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile

4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile (PubChem CID 157379767) has the molecular formula C152H94N14 and a molecular weight of 2116.52 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile
PubChem CID157379767
Molecular FormulaC152H94N14
Molecular Weight2116.52 g/mol
Exact Mass2114.78
IUPAC Name4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile
SMILESCc1ccccc1-c1cc(-c2ccc(-c3cccnc3)cc2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.Cc1ccccc1-c1cc(-c2cccc(-c3cccnc3)c2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.N#Cc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc1
InChIInChI=1S/2C38H22N4.2C38H25N3/c39-22-24-6-8-26(9-7-24)34-21-35(27-12-10-25(11-13-27)31-5-2-20-40-23-31)42-38(41-34)33-19-17-30-15-14-28-3-1-4-29-16-18-32(33)37(30)36(28)29;39-23-24-4-6-27(7-5-24)34-22-35(28-10-8-25(9-11-28)26-18-20-40-21-19-26)42-38(41-34)33-17-15-31-13-12-29-2-1-3-30-14-16-32(33)37(31)36(29)30;1-24-7-2-3-13-31(24)35-22-34(29-11-5-10-28(21-29)30-12-6-20-39-23-30)40-38(41-35)33-19-17-27-15-14-25-8-4-9-26-16-18-32(33)37(27)36(25)26;1-24-6-2-3-10-31(24)35-22-34(26-13-11-25(12-14-26)30-9-5-21-39-23-30)40-38(41-35)33-20-18-29-16-15-27-7-4-8-28-17-19-32(33)37(29)36(27)28/h1-21,23H;1-22H;2*2-23H,1H3
InChIKeyBKSWVUBWMBSGQF-UHFFFAOYSA-N
XLogP38.11
TPSA202.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.52
LogP ≤ 538.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile with MolForge

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Related Compounds

2-(3-phenylphenyl)-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(4-pyren-1-ylphenyl)-6-(2-pyridin-3-ylphenyl)pyrimidin-2-yl]benzonitrile;4-[4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]benzonitrile
CID 158049523
4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130264844
2-(2-methylphenyl)-4-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130264805
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263014
4-(4-fluorophenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-fluorophenyl)-6-(4-pyren-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-fluorophenyl)-6-(4-pyren-1-ylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 161251604
4-[4-pyren-1-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 130264404
4-phenyl-6-(4-pyren-1-ylphenyl)-2-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine
CID 130263623
4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-pyren-1-yl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263065
4-(3-phenylphenyl)-2-[3-[5-[3-phenyl-5-[6-pyren-1-yl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-3-pyridinyl]phenyl]-6-pyren-1-ylpyrimidine
CID 130271332
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263667
4-(4-fluorophenyl)-6-pyren-1-yl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264047
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264348

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile?
The IUPAC name of 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile (CID 157379767) is 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile is Cc1ccccc1-c1cc(-c2ccc(-c3cccnc3)cc2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.Cc1ccccc1-c1cc(-c2cccc(-c3cccnc3)c2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.N#Cc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc1.
What is the InChIKey of 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile?
The InChIKey is BKSWVUBWMBSGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H22N4.2C38H25N3/c39-22-24-6-8-26(9-7-24)34-21-35(27-12-10-25(11-13-27)31-5-2-20-40-23-31)42-38(41-34)33-19-17-30-15-14-28-3-1-4-29-16-18-32(33)37(30)36(28)29;39-23-24-4-6-27(7-5-24)34-22-35(28-10-8-25(9-11-28)26-18-20-40-21-19-26)42-38(41-34)33-17-15-31-13-12-29-2-1-3-30-14-16-32(33)37(31)36(29)30;1-24-7-2-3-13-31(24)35-22-34(29-11-5-10-28(21-29)30-12-6-20-39-23-30)40-38(41-35)33-19-17-27-15-14-25-8-4-9-26-16-18-32(33)37(27)36(25)26;1-24-6-2-3-10-31(24)35-22-34(26-13-11-25(12-14-26)30-9-5-21-39-23-30)40-38(41-35)33-20-18-29-16-15-27-7-4-8-28-17-19-32(33)37(29)36(27)28/h1-21,23H;1-22H;2*2-23H,1H3.
What are the key properties of 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile?
4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile has a molecular weight of 2116.52 g/mol, XLogP of 38.11, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-pyren-1-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(2-methylphenyl)-2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[2-pyren-1-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile;4-[2-pyren-1-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 157379767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).