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

C188H144N12 — CID 165051325

IUPAC6-[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
SMILESN#Cc1ccc(-c2ccc(C34CC5CC(CC(c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)cc7)cc6)(C5)C3)C4)cc2)c2ccccc12.N#Cc1ccc2cc(-c3ccc(C45CC6CC(CC(c7ccc(-c8ccc(-c9nc(-c%10cccc(-c%11ccccc%11)c%10)nc(-c%10cccc(-c%11ccccc%11)c%10)n9)cc8)cc7)(C6)C4)C5)cc3)ccc2c1.[C-]#[N+]c1cccc(-c2ccc(C34CC5CC(CC(c6ccc(-c7ccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)cc7)cc6)(C5)C3)C4)cc2)c1
InChIInChI=1S/C66H50N4.C62H48N4.C60H46N4/c67-42-44-17-18-57-35-56(24-23-55(57)34-44)51-27-31-61(32-28-51)66-40-45-33-46(41-66)39-65(38-45,43-66)60-29-25-50(26-30-60)49-19-21-52(22-20-49)62-68-63(58-15-7-13-53(36-58)47-9-3-1-4-10-47)70-64(69-62)59-16-8-14-54(37-59)48-11-5-2-6-12-48;1-63-57-14-8-13-54(36-57)50-29-33-56(34-30-50)62-39-42-35-43(40-62)38-61(37-42,41-62)55-31-27-49(28-32-55)48-19-25-53(26-20-48)60-65-58(51-21-15-46(16-22-51)44-9-4-2-5-10-44)64-59(66-60)52-23-17-47(18-24-52)45-11-6-3-7-12-45;61-38-50-26-31-54(55-17-8-7-16-53(50)55)45-24-29-52(30-25-45)60-36-40-32-41(37-60)35-59(34-40,39-60)51-27-22-44(23-28-51)43-18-20-47(21-19-43)57-62-56(46-12-5-2-6-13-46)63-58(64-57)49-15-9-14-48(33-49)42-10-3-1-4-11-42/h1-32,34-37,45-46H,33,38-41,43H2;2-34,36,42-43H,35,37-41H2;1-31,33,40-41H,32,34-37,39H2
InChIKeyPSBPYAXXHGWVIA-UHFFFAOYSA-N
MW2571.30 g/mol
LogP46.92
Rot. Bonds26

About 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

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 (PubChem CID 165051325) has the molecular formula C188H144N12 and a molecular weight of 2571.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID165051325
Molecular FormulaC188H144N12
Molecular Weight2571.30 g/mol
Exact Mass2569.16
IUPAC Name6-[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
SMILESN#Cc1ccc(-c2ccc(C34CC5CC(CC(c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)cc7)cc6)(C5)C3)C4)cc2)c2ccccc12.N#Cc1ccc2cc(-c3ccc(C45CC6CC(CC(c7ccc(-c8ccc(-c9nc(-c%10cccc(-c%11ccccc%11)c%10)nc(-c%10cccc(-c%11ccccc%11)c%10)n9)cc8)cc7)(C6)C4)C5)cc3)ccc2c1.[C-]#[N+]c1cccc(-c2ccc(C34CC5CC(CC(c6ccc(-c7ccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)cc7)cc6)(C5)C3)C4)cc2)c1
InChIInChI=1S/C66H50N4.C62H48N4.C60H46N4/c67-42-44-17-18-57-35-56(24-23-55(57)34-44)51-27-31-61(32-28-51)66-40-45-33-46(41-66)39-65(38-45,43-66)60-29-25-50(26-30-60)49-19-21-52(22-20-49)62-68-63(58-15-7-13-53(36-58)47-9-3-1-4-10-47)70-64(69-62)59-16-8-14-54(37-59)48-11-5-2-6-12-48;1-63-57-14-8-13-54(36-57)50-29-33-56(34-30-50)62-39-42-35-43(40-62)38-61(37-42,41-62)55-31-27-49(28-32-55)48-19-25-53(26-20-48)60-65-58(51-21-15-46(16-22-51)44-9-4-2-5-10-44)64-59(66-60)52-23-17-47(18-24-52)45-11-6-3-7-12-45;61-38-50-26-31-54(55-17-8-7-16-53(50)55)45-24-29-52(30-25-45)60-36-40-32-41(37-60)35-59(34-40,39-60)51-27-22-44(23-28-51)43-18-20-47(21-19-43)57-62-56(46-12-5-2-6-13-46)63-58(64-57)49-15-9-14-48(33-49)42-10-3-1-4-11-42/h1-32,34-37,45-46H,33,38-41,43H2;2-34,36,42-43H,35,37-41H2;1-31,33,40-41H,32,34-37,39H2
InChIKeyPSBPYAXXHGWVIA-UHFFFAOYSA-N
XLogP46.92
TPSA167.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002571.30
LogP ≤ 546.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 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
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-[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
5-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]naphthalene-2-carbonitrile
CID 164818521
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-[4-[1-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-3-tricyclo[3.3.1.03,7]nonanyl]phenyl]benzonitrile
CID 156576577
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-[4-[4-[3-[4-(1-adamantyl)phenyl]phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]pyridine-3-carbonitrile
CID 168808000
4-[5-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 168808497
2-[9-[4-(1-adamantyl)phenyl]phenanthren-3-yl]-4-(4-isocyanophenyl)-6-phenyl-1,3,5-triazine
CID 168808224

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2ccc(C34CC5CC(CC(c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)cc7)cc6)(C5)C3)C4)cc2)c2ccccc12.N#Cc1ccc2cc(-c3ccc(C45CC6CC(CC(c7ccc(-c8ccc(-c9nc(-c%10cccc(-c%11ccccc%11)c%10)nc(-c%10cccc(-c%11ccccc%11)c%10)n9)cc8)cc7)(C6)C4)C5)cc3)ccc2c1.[C-]#[N+]c1cccc(-c2ccc(C34CC5CC(CC(c6ccc(-c7ccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)cc7)cc6)(C5)C3)C4)cc2)c1.
What is the InChIKey of 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?
The InChIKey is PSBPYAXXHGWVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N4.C62H48N4.C60H46N4/c67-42-44-17-18-57-35-56(24-23-55(57)34-44)51-27-31-61(32-28-51)66-40-45-33-46(41-66)39-65(38-45,43-66)60-29-25-50(26-30-60)49-19-21-52(22-20-49)62-68-63(58-15-7-13-53(36-58)47-9-3-1-4-10-47)70-64(69-62)59-16-8-14-54(37-59)48-11-5-2-6-12-48;1-63-57-14-8-13-54(36-57)50-29-33-56(34-30-50)62-39-42-35-43(40-62)38-61(37-42,41-62)55-31-27-49(28-32-55)48-19-25-53(26-20-48)60-65-58(51-21-15-46(16-22-51)44-9-4-2-5-10-44)64-59(66-60)52-23-17-47(18-24-52)45-11-6-3-7-12-45;61-38-50-26-31-54(55-17-8-7-16-53(50)55)45-24-29-52(30-25-45)60-36-40-32-41(37-60)35-59(34-40,39-60)51-27-22-44(23-28-51)43-18-20-47(21-19-43)57-62-56(46-12-5-2-6-13-46)63-58(64-57)49-15-9-14-48(33-49)42-10-3-1-4-11-42/h1-32,34-37,45-46H,33,38-41,43H2;2-34,36,42-43H,35,37-41H2;1-31,33,40-41H,32,34-37,39H2.
What are the key properties of 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?
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 has a molecular weight of 2571.30 g/mol, XLogP of 46.92, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165051325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).