2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine

C111H75N15 — CID 158244223

IUPAC2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1c(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc2ccccn12.Cc1c(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc2)nc2ccccn12.Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)nc2ccccn12
InChIInChI=1S/C45H29N5.C37H25N5.C29H21N5/c1-28-42(46-41-20-10-11-25-50(28)41)29-21-23-30(24-22-29)43-47-44(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)49-45(48-43)40-27-32-13-3-5-15-34(32)36-17-7-9-19-38(36)40;1-24-34(38-33-12-6-7-21-42(24)33)27-15-17-28(18-16-27)35-39-36(31-19-13-25-8-2-4-10-29(25)22-31)41-37(40-35)32-20-14-26-9-3-5-11-30(26)23-32;1-20-26(30-25-14-8-9-19-34(20)25)21-15-17-24(18-16-21)29-32-27(22-10-4-2-5-11-22)31-28(33-29)23-12-6-3-7-13-23/h2-27H,1H3;2-23H,1H3;2-19H,1H3
InChIKeyGFXQJGYHWVYWOV-UHFFFAOYSA-N
MW1618.93 g/mol
LogP26.41
Rot. Bonds12

About 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine

2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine (PubChem CID 158244223) has the molecular formula C111H75N15 and a molecular weight of 1618.93 g/mol. Its IUPAC name is 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine
PubChem CID158244223
Molecular FormulaC111H75N15
Molecular Weight1618.93 g/mol
Exact Mass1617.63
IUPAC Name2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1c(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc2ccccn12.Cc1c(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc2)nc2ccccn12.Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)nc2ccccn12
InChIInChI=1S/C45H29N5.C37H25N5.C29H21N5/c1-28-42(46-41-20-10-11-25-50(28)41)29-21-23-30(24-22-29)43-47-44(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)49-45(48-43)40-27-32-13-3-5-15-34(32)36-17-7-9-19-38(36)40;1-24-34(38-33-12-6-7-21-42(24)33)27-15-17-28(18-16-27)35-39-36(31-19-13-25-8-2-4-10-29(25)22-31)41-37(40-35)32-20-14-26-9-3-5-11-30(26)23-32;1-20-26(30-25-14-8-9-19-34(20)25)21-15-17-24(18-16-21)29-32-27(22-10-4-2-5-11-22)31-28(33-29)23-12-6-3-7-13-23/h2-27H,1H3;2-23H,1H3;2-19H,1H3
InChIKeyGFXQJGYHWVYWOV-UHFFFAOYSA-N
XLogP26.41
TPSA167.91 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001618.93
LogP ≤ 526.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine
CID 159814445
2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164950287
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
2-naphthalen-2-yl-4-(3-phenanthren-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 164981738
2-(3-chrysen-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6-chrysen-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 167700070
2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 157258126
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164747995
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439472
bis(3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine);3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 159888199
2-naphthalen-2-yl-4-(9-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine (CID 158244223) is 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine is Cc1c(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc2ccccn12.Cc1c(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc2)nc2ccccn12.Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)nc2ccccn12.
What is the InChIKey of 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine?
The InChIKey is GFXQJGYHWVYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5.C37H25N5.C29H21N5/c1-28-42(46-41-20-10-11-25-50(28)41)29-21-23-30(24-22-29)43-47-44(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)49-45(48-43)40-27-32-13-3-5-15-34(32)36-17-7-9-19-38(36)40;1-24-34(38-33-12-6-7-21-42(24)33)27-15-17-28(18-16-27)35-39-36(31-19-13-25-8-2-4-10-29(25)22-31)41-37(40-35)32-20-14-26-9-3-5-11-30(26)23-32;1-20-26(30-25-14-8-9-19-34(20)25)21-15-17-24(18-16-21)29-32-27(22-10-4-2-5-11-22)31-28(33-29)23-12-6-3-7-13-23/h2-27H,1H3;2-23H,1H3;2-19H,1H3.
What are the key properties of 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine?
2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine has a molecular weight of 1618.93 g/mol, XLogP of 26.41, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylimidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 158244223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).