3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile

C129H77N15 — CID 158807604

IUPAC3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2ccc(-c3ccc4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc4c3)cc2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc(-c3ccc4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4c3)cc2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3c2)c1
InChIInChI=1S/2C45H27N5.C39H23N5/c1-47-40-26-30(29-46)25-39(27-40)32-17-15-31(16-18-32)38-24-21-33-13-8-14-41(42(33)28-38)34-19-22-37(23-20-34)45-49-43(35-9-4-2-5-10-35)48-44(50-45)36-11-6-3-7-12-36;1-47-40-26-30(29-46)25-39(28-40)32-17-15-31(16-18-32)37-23-24-42-38(27-37)13-8-14-41(42)33-19-21-36(22-20-33)45-49-43(34-9-4-2-5-10-34)48-44(50-45)35-11-6-3-7-12-35;1-41-36-21-26(25-40)20-34(24-36)33-19-15-28-14-18-32(22-35(28)23-33)27-12-16-31(17-13-27)39-43-37(29-8-4-2-5-9-29)42-38(44-39)30-10-6-3-7-11-30/h2*2-28H;2-24H
InChIKeyIUGXVEAVAQWQGA-UHFFFAOYSA-N
MW1837.14 g/mol
LogP32.68
Rot. Bonds17

About 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile

3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile (PubChem CID 158807604) has the molecular formula C129H77N15 and a molecular weight of 1837.14 g/mol. Its IUPAC name is 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile.

Molecular Properties

Compound Name3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile
PubChem CID158807604
Molecular FormulaC129H77N15
Molecular Weight1837.14 g/mol
Exact Mass1835.65
IUPAC Name3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2ccc(-c3ccc4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc4c3)cc2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc(-c3ccc4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4c3)cc2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3c2)c1
InChIInChI=1S/2C45H27N5.C39H23N5/c1-47-40-26-30(29-46)25-39(27-40)32-17-15-31(16-18-32)38-24-21-33-13-8-14-41(42(33)28-38)34-19-22-37(23-20-34)45-49-43(35-9-4-2-5-10-35)48-44(50-45)36-11-6-3-7-12-36;1-47-40-26-30(29-46)25-39(28-40)32-17-15-31(16-18-32)37-23-24-42-38(27-37)13-8-14-41(42)33-19-21-36(22-20-33)45-49-43(34-9-4-2-5-10-34)48-44(50-45)35-11-6-3-7-12-35;1-41-36-21-26(25-40)20-34(24-36)33-19-15-28-14-18-32(22-35(28)23-33)27-12-16-31(17-13-27)39-43-37(29-8-4-2-5-9-29)42-38(44-39)30-10-6-3-7-11-30/h2*2-28H;2-24H
InChIKeyIUGXVEAVAQWQGA-UHFFFAOYSA-N
XLogP32.68
TPSA200.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001837.14
LogP ≤ 532.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile with MolForge

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Related Compounds

2-[4-[8-(3-isocyanophenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140848189
5-[9-[2-[2-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-isocyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153432173
2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076754
2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169040010
bis(2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile);3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;2-[4-[8-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160509145
5-[4-[4-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile
CID 162490304
2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159635225
2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile
CID 157054121
3-[4-[4-[4-(3-isocyanophenyl)phenyl]-6,8-diphenylquinazolin-2-yl]phenyl]benzonitrile
CID 123522922
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-isocyanobenzonitrile;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 157323966
2,4-diphenyl-6-[4-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 160754470

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile?
The IUPAC name of 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile (CID 158807604) is 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile.
What is the SMILES notation for 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile?
The canonical SMILES for 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile is [C-]#[N+]c1cc(C#N)cc(-c2ccc(-c3ccc4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc4c3)cc2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc(-c3ccc4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4c3)cc2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3c2)c1.
What is the InChIKey of 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile?
The InChIKey is IUGXVEAVAQWQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H27N5.C39H23N5/c1-47-40-26-30(29-46)25-39(27-40)32-17-15-31(16-18-32)38-24-21-33-13-8-14-41(42(33)28-38)34-19-22-37(23-20-34)45-49-43(35-9-4-2-5-10-35)48-44(50-45)36-11-6-3-7-12-36;1-47-40-26-30(29-46)25-39(28-40)32-17-15-31(16-18-32)37-23-24-42-38(27-37)13-8-14-41(42)33-19-21-36(22-20-33)45-49-43(34-9-4-2-5-10-34)48-44(50-45)35-11-6-3-7-12-35;1-41-36-21-26(25-40)20-34(24-36)33-19-15-28-14-18-32(22-35(28)23-33)27-12-16-31(17-13-27)39-43-37(29-8-4-2-5-9-29)42-38(44-39)30-10-6-3-7-11-30/h2*2-28H;2-24H.
What are the key properties of 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile?
3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile has a molecular weight of 1837.14 g/mol, XLogP of 32.68, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-5-isocyanobenzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile;3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile is sourced from PubChem (CID 158807604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).