2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine

C187H136N16O — CID 161096436

IUPAC2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.[C-]#[N+]c1ccc(-c2cc3c4ccccc4c(-c4ccc(C#N)cc4)cc3c3ccccc23)cc1.c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C39H27N3.C38H26N4.C32H18N2.C30H27N3.C24H22N2O.C24H16N2/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37-40-38(35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)36-26-20-33(21-27-36)30-14-8-3-9-15-30;1-2-31(37-23-33(27-4-12-39-13-5-27)21-34(24-37)28-6-14-40-15-7-28)20-32(3-1)38-25-35(29-8-16-41-17-9-29)22-36(26-38)30-10-18-42-19-11-30;1-34-24-16-14-23(15-17-24)30-19-32-27-8-4-2-6-25(27)29(22-12-10-21(20-33)11-13-22)18-31(32)28-9-5-3-7-26(28)30;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-27H;1-26H;2-19H;4-21H,1-3H3;4-16H,1-3H3;1-16H
InChIKeyUHVXNIVDBGKTLA-UHFFFAOYSA-N
MW2623.26 g/mol
LogP48.10
Rot. Bonds23

About 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine

2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine (PubChem CID 161096436) has the molecular formula C187H136N16O and a molecular weight of 2623.26 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine
PubChem CID161096436
Molecular FormulaC187H136N16O
Molecular Weight2623.26 g/mol
Exact Mass2621.11
IUPAC Name2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.[C-]#[N+]c1ccc(-c2cc3c4ccccc4c(-c4ccc(C#N)cc4)cc3c3ccccc23)cc1.c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C39H27N3.C38H26N4.C32H18N2.C30H27N3.C24H22N2O.C24H16N2/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37-40-38(35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)36-26-20-33(21-27-36)30-14-8-3-9-15-30;1-2-31(37-23-33(27-4-12-39-13-5-27)21-34(24-37)28-6-14-40-15-7-28)20-32(3-1)38-25-35(29-8-16-41-17-9-29)22-36(26-38)30-10-18-42-19-11-30;1-34-24-16-14-23(15-17-24)30-19-32-27-8-4-2-6-25(27)29(22-12-10-21(20-33)11-13-22)18-31(32)28-9-5-3-7-26(28)30;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-27H;1-26H;2-19H;4-21H,1-3H3;4-16H,1-3H3;1-16H
InChIKeyUHVXNIVDBGKTLA-UHFFFAOYSA-N
XLogP48.10
TPSA213.79 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.26
LogP ≤ 548.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

CID 159388977
CID 159388977
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 158794007
4-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]chrysen-6-yl]benzonitrile
CID 167057075
4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;9-[4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[4-[3-[6-(4-isocyanophenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163515421
4-[12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]chrysen-6-yl]benzonitrile
CID 167057072
2-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164766402
4-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinolin-12-yl]phenyl]benzonitrile
CID 167057213
4-[6-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(4-isocyanophenyl)-6-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 163731985
4-[12-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[2,1-f]quinolin-6-yl]benzonitrile
CID 167057177
4-[4-(4-isocyanophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 140889097
4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile
CID 89027091
3-(4-chrysen-6-ylphenyl)-6-isocyano-9-phenylcarbazole;3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]-6-isocyano-9-phenylcarbazole
CID 158623914

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine (CID 161096436) is 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.[C-]#[N+]c1ccc(-c2cc3c4ccccc4c(-c4ccc(C#N)cc4)cc3c3ccccc23)cc1.c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is UHVXNIVDBGKTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3.C38H26N4.C32H18N2.C30H27N3.C24H22N2O.C24H16N2/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37-40-38(35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)36-26-20-33(21-27-36)30-14-8-3-9-15-30;1-2-31(37-23-33(27-4-12-39-13-5-27)21-34(24-37)28-6-14-40-15-7-28)20-32(3-1)38-25-35(29-8-16-41-17-9-29)22-36(26-38)30-10-18-42-19-11-30;1-34-24-16-14-23(15-17-24)30-19-32-27-8-4-2-6-25(27)29(22-12-10-21(20-33)11-13-22)18-31(32)28-9-5-3-7-26(28)30;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-27H;1-26H;2-19H;4-21H,1-3H3;4-16H,1-3H3;1-16H.
What are the key properties of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine?
2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2623.26 g/mol, XLogP of 48.10, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;4-[3-[3-(3,5-dipyridin-4-ylphenyl)phenyl]-5-pyridin-4-ylphenyl]pyridine;4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile;2,4,6-tris(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 161096436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).