1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline

C120H80N16 — CID 160610851

IUPAC1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccnc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5ccccc5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccccc5n4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nccc5ccccc45)c3)n2)cc1
InChIInChI=1S/4C30H20N4/c1-3-11-22(12-4-1)28-32-29(23-13-5-2-6-14-23)34-30(33-28)25-16-9-15-24(20-25)27-26-17-8-7-10-21(26)18-19-31-27;1-3-11-22(12-4-1)28-32-29(23-13-5-2-6-14-23)34-30(33-28)25-16-9-15-24(20-25)27-19-18-21-10-7-8-17-26(21)31-27;1-3-9-22(10-4-1)28-32-29(23-11-5-2-6-12-23)34-30(33-28)24-17-15-21(16-18-24)26-19-25-13-7-8-14-27(25)31-20-26;1-3-9-22(10-4-1)28-32-29(23-11-5-2-6-12-23)34-30(33-28)24-17-15-21(16-18-24)25-19-20-31-27-14-8-7-13-26(25)27/h4*1-20H
InChIKeyRFMKWDCWZYDVJB-UHFFFAOYSA-N
MW1746.07 g/mol
LogP28.35
Rot. Bonds16

About 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 160610851) has the molecular formula C120H80N16 and a molecular weight of 1746.07 g/mol. Its IUPAC name is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID160610851
Molecular FormulaC120H80N16
Molecular Weight1746.07 g/mol
Exact Mass1744.68
IUPAC Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccnc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5ccccc5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccccc5n4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nccc5ccccc45)c3)n2)cc1
InChIInChI=1S/4C30H20N4/c1-3-11-22(12-4-1)28-32-29(23-13-5-2-6-14-23)34-30(33-28)25-16-9-15-24(20-25)27-26-17-8-7-10-21(26)18-19-31-27;1-3-11-22(12-4-1)28-32-29(23-13-5-2-6-14-23)34-30(33-28)25-16-9-15-24(20-25)27-19-18-21-10-7-8-17-26(21)31-27;1-3-9-22(10-4-1)28-32-29(23-11-5-2-6-12-23)34-30(33-28)24-17-15-21(16-18-24)26-19-25-13-7-8-14-27(25)31-20-26;1-3-9-22(10-4-1)28-32-29(23-11-5-2-6-12-23)34-30(33-28)24-17-15-21(16-18-24)25-19-20-31-27-14-8-7-13-26(25)27/h4*1-20H
InChIKeyRFMKWDCWZYDVJB-UHFFFAOYSA-N
XLogP28.35
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001746.07
LogP ≤ 528.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline with MolForge

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Related Compounds

1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122426440
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
3-[4-[4-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 161219617
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine;1-[4-[4-(3,5-dipyridin-2-ylphenyl)-6-(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline;4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163759383
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;5-[4-[3-[3-[4-phenyl-6-[3-[3-(4-quinolin-5-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinoline
CID 161207659
1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline
CID 122431219
3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 121402286
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 160773519

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 160610851) is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccnc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5ccccc5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccccc5n4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nccc5ccccc45)c3)n2)cc1.
What is the InChIKey of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is RFMKWDCWZYDVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C30H20N4/c1-3-11-22(12-4-1)28-32-29(23-13-5-2-6-14-23)34-30(33-28)25-16-9-15-24(20-25)27-26-17-8-7-10-21(26)18-19-31-27;1-3-11-22(12-4-1)28-32-29(23-13-5-2-6-14-23)34-30(33-28)25-16-9-15-24(20-25)27-19-18-21-10-7-8-17-26(21)31-27;1-3-9-22(10-4-1)28-32-29(23-11-5-2-6-12-23)34-30(33-28)24-17-15-21(16-18-24)26-19-25-13-7-8-14-27(25)31-20-26;1-3-9-22(10-4-1)28-32-29(23-11-5-2-6-12-23)34-30(33-28)24-17-15-21(16-18-24)25-19-20-31-27-14-8-7-13-26(25)27/h4*1-20H.
What are the key properties of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline has a molecular weight of 1746.07 g/mol, XLogP of 28.35, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 160610851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).