3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline

C132H84N18 — CID 158665511

IUPAC3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6cccnc6)nc(-c6cccnc6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/3C44H28N6/c1-2-9-30(10-3-1)38-26-40(47-39-22-21-31-11-4-5-16-37(31)41(38)39)34-13-6-12-33(25-34)29-17-19-32(20-18-29)42-48-43(35-14-7-23-45-27-35)50-44(49-42)36-15-8-24-46-28-36;1-2-11-30(12-3-1)36-28-40(47-37-24-23-31-13-4-5-16-35(31)41(36)37)34-15-10-14-33(27-34)29-19-21-32(22-20-29)42-48-43(38-17-6-8-25-45-38)50-44(49-42)39-18-7-9-26-46-39;1-2-7-30(8-3-1)38-28-40(47-39-18-17-31-9-4-5-12-37(31)41(38)39)36-11-6-10-35(27-36)29-13-15-32(16-14-29)42-48-43(33-19-23-45-24-20-33)50-44(49-42)34-21-25-46-26-22-34/h3*1-28H
InChIKeyIDHLKPAWDONKAH-UHFFFAOYSA-N
MW1922.25 g/mol
LogP31.09
Rot. Bonds18

About 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline

3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline (PubChem CID 158665511) has the molecular formula C132H84N18 and a molecular weight of 1922.25 g/mol. Its IUPAC name is 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline
PubChem CID158665511
Molecular FormulaC132H84N18
Molecular Weight1922.25 g/mol
Exact Mass1920.71
IUPAC Name3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6cccnc6)nc(-c6cccnc6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/3C44H28N6/c1-2-9-30(10-3-1)38-26-40(47-39-22-21-31-11-4-5-16-37(31)41(38)39)34-13-6-12-33(25-34)29-17-19-32(20-18-29)42-48-43(35-14-7-23-45-27-35)50-44(49-42)36-15-8-24-46-28-36;1-2-11-30(12-3-1)36-28-40(47-37-24-23-31-13-4-5-16-35(31)41(36)37)34-15-10-14-33(27-34)29-19-21-32(22-20-29)42-48-43(38-17-6-8-25-45-38)50-44(49-42)39-18-7-9-26-46-39;1-2-7-30(8-3-1)38-28-40(47-39-18-17-31-9-4-5-12-37(31)41(38)39)36-11-6-10-35(27-36)29-13-15-32(16-14-29)42-48-43(33-19-23-45-24-20-33)50-44(49-42)34-21-25-46-26-22-34/h3*1-28H
InChIKeyIDHLKPAWDONKAH-UHFFFAOYSA-N
XLogP31.09
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.25
LogP ≤ 531.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Related Compounds

3-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 159183116
1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline
CID 160543284
3-phenyl-1-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 146185651
3-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185411
3-[3-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185536
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
3-phenyl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 146185375
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643926
3-[4-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185312
3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline?
The IUPAC name of 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline (CID 158665511) is 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline.
What is the SMILES notation for 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline?
The canonical SMILES for 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6cccnc6)nc(-c6cccnc6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)c3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline?
The InChIKey is IDHLKPAWDONKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H28N6/c1-2-9-30(10-3-1)38-26-40(47-39-22-21-31-11-4-5-16-37(31)41(38)39)34-13-6-12-33(25-34)29-17-19-32(20-18-29)42-48-43(35-14-7-23-45-27-35)50-44(49-42)36-15-8-24-46-28-36;1-2-11-30(12-3-1)36-28-40(47-37-24-23-31-13-4-5-16-35(31)41(36)37)34-15-10-14-33(27-34)29-19-21-32(22-20-29)42-48-43(38-17-6-8-25-45-38)50-44(49-42)39-18-7-9-26-46-39;1-2-7-30(8-3-1)38-28-40(47-39-18-17-31-9-4-5-12-37(31)41(38)39)36-11-6-10-35(27-36)29-13-15-32(16-14-29)42-48-43(33-19-23-45-24-20-33)50-44(49-42)34-21-25-46-26-22-34/h3*1-28H.
What are the key properties of 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline?
3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline has a molecular weight of 1922.25 g/mol, XLogP of 31.09, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline is sourced from PubChem (CID 158665511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).