2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline

C167H101N13 — CID 159939622

IUPAC2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4cc5cccnc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4cc5nccnc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4nc5ccccc5cc4c3)n2)cc1
InChIInChI=1S/2C56H34N4.C55H33N5/c1-2-10-35(11-3-1)54-58-55(45-22-23-53-50(31-45)30-44-16-8-9-17-52(44)57-53)60-56(59-54)51-33-48(42-20-18-40-24-36-12-4-6-14-38(36)26-46(40)28-42)32-49(34-51)43-21-19-41-25-37-13-5-7-15-39(37)27-47(41)29-43;1-2-9-35(10-3-1)54-58-55(46-21-20-42-25-45-15-8-22-57-53(45)34-51(42)30-46)60-56(59-54)52-32-49(43-18-16-40-23-36-11-4-6-13-38(36)26-47(40)28-43)31-50(33-52)44-19-17-41-24-37-12-5-7-14-39(37)27-48(41)29-44;1-2-8-34(9-3-1)53-58-54(44-19-18-43-32-51-52(33-49(43)28-44)57-21-20-56-51)60-55(59-53)50-30-47(41-16-14-39-22-35-10-4-6-12-37(35)24-45(39)26-41)29-48(31-50)42-17-15-40-23-36-11-5-7-13-38(36)25-46(40)27-42/h2*1-34H;1-33H
InChIKeyOARYMMWFDIOVMF-UHFFFAOYSA-N
MW2289.74 g/mol
LogP42.96
Rot. Bonds15

About 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline

2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline (PubChem CID 159939622) has the molecular formula C167H101N13 and a molecular weight of 2289.74 g/mol. Its IUPAC name is 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline.

Molecular Properties

Compound Name2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline
PubChem CID159939622
Molecular FormulaC167H101N13
Molecular Weight2289.74 g/mol
Exact Mass2287.83
IUPAC Name2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4cc5cccnc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4cc5nccnc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4nc5ccccc5cc4c3)n2)cc1
InChIInChI=1S/2C56H34N4.C55H33N5/c1-2-10-35(11-3-1)54-58-55(45-22-23-53-50(31-45)30-44-16-8-9-17-52(44)57-53)60-56(59-54)51-33-48(42-20-18-40-24-36-12-4-6-14-38(36)26-46(40)28-42)32-49(34-51)43-21-19-41-25-37-13-5-7-15-39(37)27-47(41)29-43;1-2-9-35(10-3-1)54-58-55(46-21-20-42-25-45-15-8-22-57-53(45)34-51(42)30-46)60-56(59-54)52-32-49(43-18-16-40-23-36-11-4-6-13-38(36)26-47(40)28-43)31-50(33-52)44-19-17-41-24-37-12-5-7-14-39(37)27-48(41)29-44;1-2-8-34(9-3-1)53-58-54(44-19-18-43-32-51-52(33-49(43)28-44)57-21-20-56-51)60-55(59-53)50-30-47(41-16-14-39-22-35-10-4-6-12-37(35)24-45(39)26-41)29-48(31-50)42-17-15-40-23-36-11-5-7-13-38(36)25-46(40)27-42/h2*1-34H;1-33H
InChIKeyOARYMMWFDIOVMF-UHFFFAOYSA-N
XLogP42.96
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002289.74
LogP ≤ 542.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline with MolForge

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Related Compounds

2-[4-acridin-2-yl-6-[3,5-di(anthracen-2-yl)phenyl]-1,3,5-triazin-2-yl]acridine;8-[4-benzo[g]quinolin-8-yl-6-[3,5-di(anthracen-2-yl)phenyl]-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-benzo[g]quinoxalin-7-yl-6-[3,5-di(anthracen-2-yl)phenyl]-1,3,5-triazin-2-yl]benzo[g]quinoxaline
CID 158963319
7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466132
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225
2-[3,5-di(anthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;2-[3,5-di(anthracen-2-yl)phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine;6-[4-[3,5-di(anthracen-2-yl)phenyl]-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 158091241
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
5-[3-[4,6-bis(benzo[g]quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
CID 153466259
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58382639

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline?
The IUPAC name of 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline (CID 159939622) is 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline.
What is the SMILES notation for 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline?
The canonical SMILES for 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline is c1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4cc5cccnc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4cc5nccnc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4ccc5cc6ccccc6cc5c4)c3)nc(-c3ccc4nc5ccccc5cc4c3)n2)cc1.
What is the InChIKey of 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline?
The InChIKey is OARYMMWFDIOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H34N4.C55H33N5/c1-2-10-35(11-3-1)54-58-55(45-22-23-53-50(31-45)30-44-16-8-9-17-52(44)57-53)60-56(59-54)51-33-48(42-20-18-40-24-36-12-4-6-14-38(36)26-46(40)28-42)32-49(34-51)43-21-19-41-25-37-13-5-7-15-39(37)27-47(41)29-43;1-2-9-35(10-3-1)54-58-55(46-21-20-42-25-45-15-8-22-57-53(45)34-51(42)30-46)60-56(59-54)52-32-49(43-18-16-40-23-36-11-4-6-13-38(36)26-47(40)28-43)31-50(33-52)44-19-17-41-24-37-12-5-7-14-39(37)27-48(41)29-44;1-2-8-34(9-3-1)53-58-54(44-19-18-43-32-51-52(33-49(43)28-44)57-21-20-56-51)60-55(59-53)50-30-47(41-16-14-39-22-35-10-4-6-12-37(35)24-45(39)26-41)29-48(31-50)42-17-15-40-23-36-11-5-7-13-38(36)25-46(40)27-42/h2*1-34H;1-33H.
What are the key properties of 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline?
2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline has a molecular weight of 2289.74 g/mol, XLogP of 42.96, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline is sourced from PubChem (CID 159939622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).