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

C128H98N8 — CID 164971413

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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc(-c9ccccc9)cc8)n7)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.C62H48N4/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;63-40-42-11-13-47(14-12-42)51-27-31-56(32-28-51)61-36-43-35-44(37-61)39-62(38-43,41-61)57-33-29-52(30-34-57)50-19-25-55(26-20-50)60-65-58(53-21-15-48(16-22-53)45-7-3-1-4-8-45)64-59(66-60)54-23-17-49(18-24-54)46-9-5-2-6-10-46/h1-34,36-37,45-46H,35,38-41,43H2;1-34,43-44H,35-39,41H2
InChIKeyDEEHSYDACWARPR-UHFFFAOYSA-N
MW1748.25 g/mol
LogP31.56
Rot. Bonds18

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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile (PubChem CID 164971413) has the molecular formula C128H98N8 and a molecular weight of 1748.25 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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
PubChem CID164971413
Molecular FormulaC128H98N8
Molecular Weight1748.25 g/mol
Exact Mass1746.79
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc(-c9ccccc9)cc8)n7)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.C62H48N4/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;63-40-42-11-13-47(14-12-42)51-27-31-56(32-28-51)61-36-43-35-44(37-61)39-62(38-43,41-61)57-33-29-52(30-34-57)50-19-25-55(26-20-50)60-65-58(53-21-15-48(16-22-53)45-7-3-1-4-8-45)64-59(66-60)54-23-17-49(18-24-54)46-9-5-2-6-10-46/h1-34,36-37,45-46H,35,38-41,43H2;1-34,43-44H,35-39,41H2
InChIKeyDEEHSYDACWARPR-UHFFFAOYSA-N
XLogP31.56
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001748.25
LogP ≤ 531.56
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile 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-[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
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-(1-adamantyl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)phenyl]benzonitrile
CID 168808155
4-[4-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylphenyl]-1-adamantyl]-2-methylphenyl]benzonitrile
CID 164818726
5-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]naphthalene-2-carbonitrile
CID 164818521
4-[5-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 168808497
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
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
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916

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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile (CID 164971413) 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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc(-c9ccccc9)cc8)n7)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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile?
The InChIKey is DEEHSYDACWARPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N4.C62H48N4/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;63-40-42-11-13-47(14-12-42)51-27-31-56(32-28-51)61-36-43-35-44(37-61)39-62(38-43,41-61)57-33-29-52(30-34-57)50-19-25-55(26-20-50)60-65-58(53-21-15-48(16-22-53)45-7-3-1-4-8-45)64-59(66-60)54-23-17-49(18-24-54)46-9-5-2-6-10-46/h1-34,36-37,45-46H,35,38-41,43H2;1-34,43-44H,35-39,41H2.
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile has a molecular weight of 1748.25 g/mol, XLogP of 31.56, 18 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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile is sourced from PubChem (CID 164971413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).