4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline

C140H92N10 — CID 162043416

IUPAC4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)nc5c4cc(-c4ccccc4)c4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3cc(-c4ccccc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)nc5c4cc(-c4ccccc4)c4ccccc45)cc3)n2)cc1
InChIInChI=1S/2C47H31N3.C46H30N4/c1-5-15-32(16-6-1)40-29-42-41(30-43(34-17-7-2-8-18-34)48-46(42)39-24-14-13-23-38(39)40)33-25-27-36(28-26-33)45-31-44(35-19-9-3-10-20-35)49-47(50-45)37-21-11-4-12-22-37;1-5-15-32(16-6-1)40-29-42-41(30-43(34-17-7-2-8-18-34)48-46(42)39-24-14-13-23-38(39)40)33-25-27-37(28-26-33)47-49-44(35-19-9-3-10-20-35)31-45(50-47)36-21-11-4-12-22-36;1-5-15-31(16-6-1)39-29-41-40(30-42(33-17-7-2-8-18-33)47-43(41)38-24-14-13-23-37(38)39)32-25-27-36(28-26-32)46-49-44(34-19-9-3-10-20-34)48-45(50-46)35-21-11-4-12-22-35/h2*1-31H;1-30H
InChIKeyYXORBXOTYVKVGX-UHFFFAOYSA-N
MW1914.35 g/mol
LogP35.94
Rot. Bonds18

About 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline (PubChem CID 162043416) has the molecular formula C140H92N10 and a molecular weight of 1914.35 g/mol. Its IUPAC name is 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline.

Molecular Properties

Compound Name4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline
PubChem CID162043416
Molecular FormulaC140H92N10
Molecular Weight1914.35 g/mol
Exact Mass1912.75
IUPAC Name4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)nc5c4cc(-c4ccccc4)c4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3cc(-c4ccccc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)nc5c4cc(-c4ccccc4)c4ccccc45)cc3)n2)cc1
InChIInChI=1S/2C47H31N3.C46H30N4/c1-5-15-32(16-6-1)40-29-42-41(30-43(34-17-7-2-8-18-34)48-46(42)39-24-14-13-23-38(39)40)33-25-27-36(28-26-33)45-31-44(35-19-9-3-10-20-35)49-47(50-45)37-21-11-4-12-22-37;1-5-15-32(16-6-1)40-29-42-41(30-43(34-17-7-2-8-18-34)48-46(42)39-24-14-13-23-38(39)40)33-25-27-37(28-26-33)47-49-44(35-19-9-3-10-20-35)31-45(50-47)36-21-11-4-12-22-36;1-5-15-31(16-6-1)39-29-41-40(30-42(33-17-7-2-8-18-33)47-43(41)38-24-14-13-23-37(38)39)32-25-27-36(28-26-32)46-49-44(34-19-9-3-10-20-34)48-45(50-46)35-21-11-4-12-22-35/h2*1-31H;1-30H
InChIKeyYXORBXOTYVKVGX-UHFFFAOYSA-N
XLogP35.94
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001914.35
LogP ≤ 535.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 157403455
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836420
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89137298
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
CID 70958757
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine
CID 121441204
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
CID 89137414
3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959604
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958913

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline?
The IUPAC name of 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline (CID 162043416) is 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline.
What is the SMILES notation for 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline?
The canonical SMILES for 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)nc5c4cc(-c4ccccc4)c4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3cc(-c4ccccc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)nc5c4cc(-c4ccccc4)c4ccccc45)cc3)n2)cc1.
What is the InChIKey of 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline?
The InChIKey is YXORBXOTYVKVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H31N3.C46H30N4/c1-5-15-32(16-6-1)40-29-42-41(30-43(34-17-7-2-8-18-34)48-46(42)39-24-14-13-23-38(39)40)33-25-27-36(28-26-33)45-31-44(35-19-9-3-10-20-35)49-47(50-45)37-21-11-4-12-22-37;1-5-15-32(16-6-1)40-29-42-41(30-43(34-17-7-2-8-18-34)48-46(42)39-24-14-13-23-38(39)40)33-25-27-37(28-26-33)47-49-44(35-19-9-3-10-20-35)31-45(50-47)36-21-11-4-12-22-36;1-5-15-31(16-6-1)39-29-41-40(30-42(33-17-7-2-8-18-33)47-43(41)38-24-14-13-23-37(38)39)32-25-27-36(28-26-32)46-49-44(34-19-9-3-10-20-34)48-45(50-46)35-21-11-4-12-22-35/h2*1-31H;1-30H.
What are the key properties of 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline?
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline has a molecular weight of 1914.35 g/mol, XLogP of 35.94, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline is sourced from PubChem (CID 162043416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).