4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile

C130H98N8 — CID 165011992

IUPAC4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-c7ccc(-c8nc(-c9ccc%10ccccc%10c9)nc(-c9ccc%10ccccc%10c9)n8)cc7)cc6)cc3)(C5)C4)cc2)cc1.N#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc7cc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)ccc7c6)cc3)(C5)C4)cc2)cc1
InChIInChI=1S/C66H50N4.C64H48N4/c67-42-44-11-13-49(14-12-44)52-27-31-60(32-28-52)65-38-45-35-46(39-65)41-66(40-45,43-65)61-33-29-53(30-34-61)56-23-24-58-37-59(26-25-57(58)36-56)64-69-62(54-19-15-50(16-20-54)47-7-3-1-4-8-47)68-63(70-64)55-21-17-51(18-22-55)48-9-5-2-6-10-48;65-40-42-9-11-47(12-10-42)51-25-29-58(30-26-51)63-36-43-33-44(37-63)39-64(38-43,41-63)59-31-27-52(28-32-59)49-15-13-48(14-16-49)50-17-21-53(22-18-50)60-66-61(56-23-19-45-5-1-3-7-54(45)34-56)68-62(67-60)57-24-20-46-6-2-4-8-55(46)35-57/h1-34,36-37,45-46H,35,38-41,43H2;1-32,34-35,43-44H,33,36-39,41H2
InChIKeyJVOZWVYNUJMHQD-UHFFFAOYSA-N
MW1772.27 g/mol
LogP32.20
Rot. Bonds17

About 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile

4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile (PubChem CID 165011992) has the molecular formula C130H98N8 and a molecular weight of 1772.27 g/mol. Its IUPAC name is 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
PubChem CID165011992
Molecular FormulaC130H98N8
Molecular Weight1772.27 g/mol
Exact Mass1770.79
IUPAC Name4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-c7ccc(-c8nc(-c9ccc%10ccccc%10c9)nc(-c9ccc%10ccccc%10c9)n8)cc7)cc6)cc3)(C5)C4)cc2)cc1.N#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc7cc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)ccc7c6)cc3)(C5)C4)cc2)cc1
InChIInChI=1S/C66H50N4.C64H48N4/c67-42-44-11-13-49(14-12-44)52-27-31-60(32-28-52)65-38-45-35-46(39-65)41-66(40-45,43-65)61-33-29-53(30-34-61)56-23-24-58-37-59(26-25-57(58)36-56)64-69-62(54-19-15-50(16-20-54)47-7-3-1-4-8-47)68-63(70-64)55-21-17-51(18-22-55)48-9-5-2-6-10-48;65-40-42-9-11-47(12-10-42)51-25-29-58(30-26-51)63-36-43-33-44(37-63)39-64(38-43,41-63)59-31-27-52(28-32-59)49-15-13-48(14-16-49)50-17-21-53(22-18-50)60-66-61(56-23-19-45-5-1-3-7-54(45)34-56)68-62(67-60)57-24-20-46-6-2-4-8-55(46)35-57/h1-34,36-37,45-46H,35,38-41,43H2;1-32,34-35,43-44H,33,36-39,41H2
InChIKeyJVOZWVYNUJMHQD-UHFFFAOYSA-N
XLogP32.20
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001772.27
LogP ≤ 532.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile with MolForge

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Related Compounds

4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
CID 164971413
3-[4-[3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
CID 164818569
4-[4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile
CID 164818606
4-[4-[4,6-bis[3-[4-(1-adamantyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168808054
4-[3-[4-[4-(1-adamantyl)phenyl]-6-[3-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168808424
4-[3-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]benzonitrile
CID 174078073
5-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]naphthalene-2-carbonitrile
CID 164818521
4-[3-[4-[4-(1-adamantyl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)phenyl]benzonitrile
CID 168808155
4-[3-[3-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-1-adamantyl]phenyl]benzonitrile
CID 164818758
4-[4-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylphenyl]-1-adamantyl]-2-methylphenyl]benzonitrile
CID 164818726
4-[5-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 168808497
6-[4-[3-[4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]naphthalene-2-carbonitrile;2-[4-[4-[3-[4-(3-isocyanophenyl)phenyl]-1-adamantyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-[4-[3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile
CID 165051325

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile (CID 165011992) is 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-c7ccc(-c8nc(-c9ccc%10ccccc%10c9)nc(-c9ccc%10ccccc%10c9)n8)cc7)cc6)cc3)(C5)C4)cc2)cc1.N#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc7cc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)ccc7c6)cc3)(C5)C4)cc2)cc1.
What is the InChIKey of 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile?
The InChIKey is JVOZWVYNUJMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N4.C64H48N4/c67-42-44-11-13-49(14-12-44)52-27-31-60(32-28-52)65-38-45-35-46(39-65)41-66(40-45,43-65)61-33-29-53(30-34-61)56-23-24-58-37-59(26-25-57(58)36-56)64-69-62(54-19-15-50(16-20-54)47-7-3-1-4-8-47)68-63(70-64)55-21-17-51(18-22-55)48-9-5-2-6-10-48;65-40-42-9-11-47(12-10-42)51-25-29-58(30-26-51)63-36-43-33-44(37-63)39-64(38-43,41-63)59-31-27-52(28-32-59)49-15-13-48(14-16-49)50-17-21-53(22-18-50)60-66-61(56-23-19-45-5-1-3-7-54(45)34-56)68-62(67-60)57-24-20-46-6-2-4-8-55(46)35-57/h1-34,36-37,45-46H,35,38-41,43H2;1-32,34-35,43-44H,33,36-39,41H2.
What are the key properties of 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile?
4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile has a molecular weight of 1772.27 g/mol, XLogP of 32.20, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;4-[4-[3-[4-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile is sourced from PubChem (CID 165011992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).