2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine

C166H106N8 — CID 167563167

IUPAC2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1cc(-c2ccc(-c3ccncc3)cc2)nc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c1.c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)nc1.c1cncc(-c2ccc(-c3ccnc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)c1
InChIInChI=1S/C56H36N2.2C55H35N3/c1-3-10-44-34-47(26-20-37(44)8-1)55-49-12-5-6-13-50(49)56(48-27-21-38-9-2-4-11-45(38)35-48)52-36-46(28-29-51(52)55)40-18-24-43(25-19-40)54-15-7-14-53(58-54)42-22-16-39(17-23-42)41-30-32-57-33-31-41;1-3-11-42-33-45(26-18-36(42)9-1)53-47-13-5-6-14-48(47)54(46-27-19-37-10-2-4-12-43(37)34-46)50-35-44(28-29-49(50)53)38-16-24-41(25-17-38)55-57-32-30-52(58-55)40-22-20-39(21-23-40)51-15-7-8-31-56-51;1-3-10-42-32-45(25-19-36(42)8-1)53-48-13-5-6-14-49(48)54(46-26-20-37-9-2-4-11-43(37)33-46)51-34-44(27-28-50(51)53)38-17-23-41(24-18-38)55-57-31-29-52(58-55)40-21-15-39(16-22-40)47-12-7-30-56-35-47/h1-36H;2*1-35H
InChIKeyDXUJTLUNQOIVOU-UHFFFAOYSA-N
MW2212.73 g/mol
LogP44.06
Rot. Bonds18

About 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 167563167) has the molecular formula C166H106N8 and a molecular weight of 2212.73 g/mol. Its IUPAC name is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID167563167
Molecular FormulaC166H106N8
Molecular Weight2212.73 g/mol
Exact Mass2210.85
IUPAC Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1cc(-c2ccc(-c3ccncc3)cc2)nc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c1.c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)nc1.c1cncc(-c2ccc(-c3ccnc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)c1
InChIInChI=1S/C56H36N2.2C55H35N3/c1-3-10-44-34-47(26-20-37(44)8-1)55-49-12-5-6-13-50(49)56(48-27-21-38-9-2-4-11-45(38)35-48)52-36-46(28-29-51(52)55)40-18-24-43(25-19-40)54-15-7-14-53(58-54)42-22-16-39(17-23-42)41-30-32-57-33-31-41;1-3-11-42-33-45(26-18-36(42)9-1)53-47-13-5-6-14-48(47)54(46-27-19-37-10-2-4-12-43(37)34-46)50-35-44(28-29-49(50)53)38-16-24-41(25-17-38)55-57-32-30-52(58-55)40-22-20-39(21-23-40)51-15-7-8-31-56-51;1-3-10-42-32-45(25-19-36(42)8-1)53-48-13-5-6-14-49(48)54(46-26-20-37-9-2-4-11-43(37)33-46)51-34-44(27-28-50(51)53)38-17-23-41(24-18-38)55-57-31-29-52(58-55)40-21-15-39(16-22-40)47-12-7-30-56-35-47/h1-36H;2*1-35H
InChIKeyDXUJTLUNQOIVOU-UHFFFAOYSA-N
XLogP44.06
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms174
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002212.73
LogP ≤ 544.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine (CID 167563167) is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine is c1cc(-c2ccc(-c3ccncc3)cc2)nc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c1.c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)nc1.c1cncc(-c2ccc(-c3ccnc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)c1.
What is the InChIKey of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is DXUJTLUNQOIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.2C55H35N3/c1-3-10-44-34-47(26-20-37(44)8-1)55-49-12-5-6-13-50(49)56(48-27-21-38-9-2-4-11-45(38)35-48)52-36-46(28-29-51(52)55)40-18-24-43(25-19-40)54-15-7-14-53(58-54)42-22-16-39(17-23-42)41-30-32-57-33-31-41;1-3-11-42-33-45(26-18-36(42)9-1)53-47-13-5-6-14-48(47)54(46-27-19-37-10-2-4-12-43(37)34-46)50-35-44(28-29-49(50)53)38-16-24-41(25-17-38)55-57-32-30-52(58-55)40-22-20-39(21-23-40)51-15-7-8-31-56-51;1-3-10-42-32-45(25-19-36(42)8-1)53-48-13-5-6-14-49(48)54(46-26-20-37-9-2-4-11-43(37)33-46)51-34-44(27-28-50(51)53)38-17-23-41(24-18-38)55-57-31-29-52(58-55)40-21-15-39(16-22-40)47-12-7-30-56-35-47/h1-36H;2*1-35H.
What are the key properties of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine?
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 2212.73 g/mol, XLogP of 44.06, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 167563167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).