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

C108H69N15 — CID 159814445

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cn5ccccc5n4)cc3)n2)cc1.c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4cn5ccccc5n4)cc3)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12.c1ccc2cc(-c3nc(-c4ccc(-c5cn6ccccc6n5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C44H27N5.C36H23N5.C28H19N5/c1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)43-46-42(29-22-20-28(21-23-29)40-27-49-24-10-9-19-41(49)45-40)47-44(48-43)39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39;1-3-9-28-21-30(18-12-24(28)7-1)35-38-34(39-36(40-35)31-19-13-25-8-2-4-10-29(25)22-31)27-16-14-26(15-17-27)32-23-41-20-6-5-11-33(41)37-32;1-3-9-21(10-4-1)26-30-27(22-11-5-2-6-12-22)32-28(31-26)23-16-14-20(15-17-23)24-19-33-18-8-7-13-25(33)29-24/h1-27H;1-23H;1-19H
InChIKeyNLKYWFHBZPLBBC-UHFFFAOYSA-N
MW1576.84 g/mol
LogP25.48
Rot. Bonds12

About 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

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 (PubChem CID 159814445) has the molecular formula C108H69N15 and a molecular weight of 1576.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159814445
Molecular FormulaC108H69N15
Molecular Weight1576.84 g/mol
Exact Mass1575.59
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cn5ccccc5n4)cc3)n2)cc1.c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4cn5ccccc5n4)cc3)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12.c1ccc2cc(-c3nc(-c4ccc(-c5cn6ccccc6n5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C44H27N5.C36H23N5.C28H19N5/c1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)43-46-42(29-22-20-28(21-23-29)40-27-49-24-10-9-19-41(49)45-40)47-44(48-43)39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39;1-3-9-28-21-30(18-12-24(28)7-1)35-38-34(39-36(40-35)31-19-13-25-8-2-4-10-29(25)22-31)27-16-14-26(15-17-27)32-23-41-20-6-5-11-33(41)37-32;1-3-9-21(10-4-1)26-30-27(22-11-5-2-6-12-22)32-28(31-26)23-16-14-20(15-17-23)24-19-33-18-8-7-13-25(33)29-24/h1-27H;1-23H;1-19H
InChIKeyNLKYWFHBZPLBBC-UHFFFAOYSA-N
XLogP25.48
TPSA167.91 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.84
LogP ≤ 525.48
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]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 with MolForge

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Related Compounds

2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164950287
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
2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine
CID 168835940
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 168835795
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
2-naphthalen-2-yl-4-(3-phenanthren-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 164981738
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439472
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 126681837
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cn5ccccc5n4)cc3)n2)cc1.c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4cn5ccccc5n4)cc3)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12.c1ccc2cc(-c3nc(-c4ccc(-c5cn6ccccc6n5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is NLKYWFHBZPLBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5.C36H23N5.C28H19N5/c1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)43-46-42(29-22-20-28(21-23-29)40-27-49-24-10-9-19-41(49)45-40)47-44(48-43)39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39;1-3-9-28-21-30(18-12-24(28)7-1)35-38-34(39-36(40-35)31-19-13-25-8-2-4-10-29(25)22-31)27-16-14-26(15-17-27)32-23-41-20-6-5-11-33(41)37-32;1-3-9-21(10-4-1)26-30-27(22-11-5-2-6-12-22)32-28(31-26)23-16-14-20(15-17-23)24-19-33-18-8-7-13-25(33)29-24/h1-27H;1-23H;1-19H.
What are the key properties of 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?
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 has a molecular weight of 1576.84 g/mol, XLogP of 25.48, 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]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 is sourced from PubChem (CID 159814445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).