4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine

C129H90N18 — CID 159949287

IUPAC4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H23N3.C27H19N3.C24H12N6.C24H21N3.C21H15N3/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)32-34-31(28-14-8-3-9-15-28)35-33(36-32)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-29-25(22-12-6-2-7-13-22)28-26(30-27)23-14-8-3-9-15-23;1-27-21-12-10-20(11-13-21)24-29-22(18-6-2-16(14-25)3-7-18)28-23(30-24)19-8-4-17(15-26)5-9-19;1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-23H;1-19H;2-13H;4-15H,1-3H3;1-15H
InChIKeyOBWYPGQXOGWOTQ-UHFFFAOYSA-N
MW1892.26 g/mol
LogP30.58
Rot. Bonds18

About 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine

4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine (PubChem CID 159949287) has the molecular formula C129H90N18 and a molecular weight of 1892.26 g/mol. Its IUPAC name is 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine
PubChem CID159949287
Molecular FormulaC129H90N18
Molecular Weight1892.26 g/mol
Exact Mass1890.76
IUPAC Name4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H23N3.C27H19N3.C24H12N6.C24H21N3.C21H15N3/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)32-34-31(28-14-8-3-9-15-28)35-33(36-32)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-29-25(22-12-6-2-7-13-22)28-26(30-27)23-14-8-3-9-15-23;1-27-21-12-10-20(11-13-21)24-29-22(18-6-2-16(14-25)3-7-18)28-23(30-24)19-8-4-17(15-26)5-9-19;1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-23H;1-19H;2-13H;4-15H,1-3H3;1-15H
InChIKeyOBWYPGQXOGWOTQ-UHFFFAOYSA-N
XLogP30.58
TPSA245.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.26
LogP ≤ 530.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine (CID 159949287) is 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine?
The InChIKey is OBWYPGQXOGWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3.C27H19N3.C24H12N6.C24H21N3.C21H15N3/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)32-34-31(28-14-8-3-9-15-28)35-33(36-32)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-29-25(22-12-6-2-7-13-22)28-26(30-27)23-14-8-3-9-15-23;1-27-21-12-10-20(11-13-21)24-29-22(18-6-2-16(14-25)3-7-18)28-23(30-24)19-8-4-17(15-26)5-9-19;1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-23H;1-19H;2-13H;4-15H,1-3H3;1-15H.
What are the key properties of 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine?
4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine has a molecular weight of 1892.26 g/mol, XLogP of 30.58, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenyl)-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4-diphenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159949287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).