2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine

C134H86N10 — CID 159367402

IUPAC2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3ccccn3)c2)nc1.c1ccc(-c2cc(-c3cccnc3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)ccc21
InChIInChI=1S/3C34H22N2.C32H20N4/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)32-22-23(15-16-31(29)32)24-19-25(33-13-5-7-17-35-33)21-26(20-24)34-14-6-8-18-36-34;1-2-11-30-28(9-1)29-10-3-4-12-31(29)33-21-23(14-15-32(30)33)25-18-26(24-8-7-16-35-22-24)20-27(19-25)34-13-5-6-17-36-34;1-2-7-31-29(5-1)30-6-3-4-8-32(30)34-22-25(9-10-33(31)34)28-20-26(23-11-15-35-16-12-23)19-27(21-28)24-13-17-36-18-14-24;1-2-8-21(9-3-1)30-34-31(22-16-18-33-19-17-22)36-32(35-30)23-14-15-28-26-12-5-4-10-24(26)25-11-6-7-13-27(25)29(28)20-23/h3*1-22H;1-20H
InChIKeyLJHNWLZDCCKSCZ-UHFFFAOYSA-N
MW1836.23 g/mol
LogP34.54
Rot. Bonds12

About 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine

2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine (PubChem CID 159367402) has the molecular formula C134H86N10 and a molecular weight of 1836.23 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
PubChem CID159367402
Molecular FormulaC134H86N10
Molecular Weight1836.23 g/mol
Exact Mass1834.70
IUPAC Name2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3ccccn3)c2)nc1.c1ccc(-c2cc(-c3cccnc3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)ccc21
InChIInChI=1S/3C34H22N2.C32H20N4/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)32-22-23(15-16-31(29)32)24-19-25(33-13-5-7-17-35-33)21-26(20-24)34-14-6-8-18-36-34;1-2-11-30-28(9-1)29-10-3-4-12-31(29)33-21-23(14-15-32(30)33)25-18-26(24-8-7-16-35-22-24)20-27(19-25)34-13-5-6-17-36-34;1-2-7-31-29(5-1)30-6-3-4-8-32(30)34-22-25(9-10-33(31)34)28-20-26(23-11-15-35-16-12-23)19-27(21-28)24-13-17-36-18-14-24;1-2-8-21(9-3-1)30-34-31(22-16-18-33-19-17-22)36-32(35-30)23-14-15-28-26-12-5-4-10-24(26)25-11-6-7-13-27(25)29(28)20-23/h3*1-22H;1-20H
InChIKeyLJHNWLZDCCKSCZ-UHFFFAOYSA-N
XLogP34.54
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms144
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001836.23
LogP ≤ 534.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine?
The IUPAC name of 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine (CID 159367402) is 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine.
What is the SMILES notation for 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine?
The canonical SMILES for 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine is c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3ccccn3)c2)nc1.c1ccc(-c2cc(-c3cccnc3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)ccc21.
What is the InChIKey of 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine?
The InChIKey is LJHNWLZDCCKSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C34H22N2.C32H20N4/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)32-22-23(15-16-31(29)32)24-19-25(33-13-5-7-17-35-33)21-26(20-24)34-14-6-8-18-36-34;1-2-11-30-28(9-1)29-10-3-4-12-31(29)33-21-23(14-15-32(30)33)25-18-26(24-8-7-16-35-22-24)20-27(19-25)34-13-5-6-17-36-34;1-2-7-31-29(5-1)30-6-3-4-8-32(30)34-22-25(9-10-33(31)34)28-20-26(23-11-15-35-16-12-23)19-27(21-28)24-13-17-36-18-14-24;1-2-8-21(9-3-1)30-34-31(22-16-18-33-19-17-22)36-32(35-30)23-14-15-28-26-12-5-4-10-24(26)25-11-6-7-13-27(25)29(28)20-23/h3*1-22H;1-20H.
What are the key properties of 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine?
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine has a molecular weight of 1836.23 g/mol, XLogP of 34.54, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine is sourced from PubChem (CID 159367402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).