2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline

C89H55N11 — CID 160631568

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline
SMILESc1ccc(-c2ccc3cc(-c4ccc5c6cccnc6c6ccccc6c5n4)ccc3c2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5c6cccnc6ccc45)n3)n2)cc1.c1cncc(-c2cccc(-c3ccc4c5cccnc5c5ccccc5c4n3)c2)c1
InChIInChI=1S/C31H19N5.C31H19N3.C27H17N3/c1-3-8-20(9-4-1)29-34-30(21-10-5-2-6-11-21)36-31(35-29)28-18-15-25-23-13-16-26-24(12-7-19-32-26)22(23)14-17-27(25)33-28;1-2-7-26-24(6-1)30-25(8-5-17-33-30)27-14-15-29(34-31(26)27)23-13-11-20-18-22(12-10-21(20)19-23)28-9-3-4-16-32-28;1-2-10-23-21(9-1)26-22(11-5-15-29-26)24-12-13-25(30-27(23)24)19-7-3-6-18(16-19)20-8-4-14-28-17-20/h1-19H;1-19H;1-17H
InChIKeyRHZINVDFYLKNBB-UHFFFAOYSA-N
MW1278.50 g/mol
LogP21.61
Rot. Bonds7

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline

2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline (PubChem CID 160631568) has the molecular formula C89H55N11 and a molecular weight of 1278.50 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline
PubChem CID160631568
Molecular FormulaC89H55N11
Molecular Weight1278.50 g/mol
Exact Mass1277.46
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline
SMILESc1ccc(-c2ccc3cc(-c4ccc5c6cccnc6c6ccccc6c5n4)ccc3c2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5c6cccnc6ccc45)n3)n2)cc1.c1cncc(-c2cccc(-c3ccc4c5cccnc5c5ccccc5c4n3)c2)c1
InChIInChI=1S/C31H19N5.C31H19N3.C27H17N3/c1-3-8-20(9-4-1)29-34-30(21-10-5-2-6-11-21)36-31(35-29)28-18-15-25-23-13-16-26-24(12-7-19-32-26)22(23)14-17-27(25)33-28;1-2-7-26-24(6-1)30-25(8-5-17-33-30)27-14-15-29(34-31(26)27)23-13-11-20-18-22(12-10-21(20)19-23)28-9-3-4-16-32-28;1-2-10-23-21(9-1)26-22(11-5-15-29-26)24-12-13-25(30-27(23)24)19-7-3-6-18(16-19)20-8-4-14-28-17-20/h1-19H;1-19H;1-17H
InChIKeyRHZINVDFYLKNBB-UHFFFAOYSA-N
XLogP21.61
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.50
LogP ≤ 521.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline with MolForge

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Related Compounds

5-[4-[6-[4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline;5-[4-[6-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline;5-[4-[6-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline;5-[4-(5-phenyl-2-pyridinyl)-6-[6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;5-[4-(3-pyridin-2-ylphenyl)-6-[6-[4-(3-pyridin-2-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;5-[4-(3-pyridin-3-ylphenyl)-6-[6-[4-(3-pyridin-3-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;5-[4-(3-pyridin-4-ylphenyl)-6-[6-[4-(3-pyridin-4-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;5-[4-(4-pyridin-4-ylphenyl)-6-[6-[4-(4-pyridin-4-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 158617084
6-[6-[3-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176818932
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 129208720
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
6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine
CID 176819163
2-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-6-(2-phenylquinolin-6-yl)quinoline;2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 159059555
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]quinoline;2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(3,5-dipyridin-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 159131062
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
bis(2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine);2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 158902539
2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 159312458
2,6-diphenyl-4-triphenylen-2-ylpyridine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;2,4-diphenyl-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine;2-phenyl-4-triphenylen-2-ylpyrimidine;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-pyridin-4-yl-4-triphenylen-2-ylpyrimidine
CID 158935180
4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline
CID 118552039

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline (CID 160631568) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline is c1ccc(-c2ccc3cc(-c4ccc5c6cccnc6c6ccccc6c5n4)ccc3c2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5c6cccnc6ccc45)n3)n2)cc1.c1cncc(-c2cccc(-c3ccc4c5cccnc5c5ccccc5c4n3)c2)c1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline?
The InChIKey is RHZINVDFYLKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5.C31H19N3.C27H17N3/c1-3-8-20(9-4-1)29-34-30(21-10-5-2-6-11-21)36-31(35-29)28-18-15-25-23-13-16-26-24(12-7-19-32-26)22(23)14-17-27(25)33-28;1-2-7-26-24(6-1)30-25(8-5-17-33-30)27-14-15-29(34-31(26)27)23-13-11-20-18-22(12-10-21(20)19-23)28-9-3-4-16-32-28;1-2-10-23-21(9-1)26-22(11-5-15-29-26)24-12-13-25(30-27(23)24)19-7-3-6-18(16-19)20-8-4-14-28-17-20/h1-19H;1-19H;1-17H.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline has a molecular weight of 1278.50 g/mol, XLogP of 21.61, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolino[6,5-f]quinoline;7-(6-pyridin-2-ylnaphthalen-2-yl)benzo[f][4,7]phenanthroline;7-(3-pyridin-3-ylphenyl)benzo[f][4,7]phenanthroline is sourced from PubChem (CID 160631568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).