4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline

C50H32N6 — CID 122431219

IUPAC4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccnc6ccccc56)cc(-c5ccnc6ccccc56)c4)nc(-c4cccc(-c5ccccc5)n4)n3)cc2)cc1
InChIInChI=1S/C50H32N6/c1-3-12-33(13-4-1)34-22-24-36(25-23-34)48-54-49(56-50(55-48)47-21-11-20-44(53-47)35-14-5-2-6-15-35)39-31-37(40-26-28-51-45-18-9-7-16-42(40)45)30-38(32-39)41-27-29-52-46-19-10-8-17-43(41)46/h1-32H
InChIKeyRHJXINUEDJYWFL-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.03
Rot. Bonds7

About 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline

4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline (PubChem CID 122431219) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline.

Molecular Properties

Compound Name4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline
PubChem CID122431219
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccnc6ccccc56)cc(-c5ccnc6ccccc56)c4)nc(-c4cccc(-c5ccccc5)n4)n3)cc2)cc1
InChIInChI=1S/C50H32N6/c1-3-12-33(13-4-1)34-22-24-36(25-23-34)48-54-49(56-50(55-48)47-21-11-20-44(53-47)35-14-5-2-6-15-35)39-31-37(40-26-28-51-45-18-9-7-16-42(40)45)30-38(32-39)41-27-29-52-46-19-10-8-17-43(41)46/h1-32H
InChIKeyRHJXINUEDJYWFL-UHFFFAOYSA-N
XLogP12.03
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730918
4-[4-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 130264401
4-[4-[2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130265040
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
4-[4-[6-phenyl-2-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 130264070
5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155708548
2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 158908680
4-[4-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264941
7-[3,5-di(quinolin-4-yl)phenyl]-2-[2-(3-pyridin-2-ylphenyl)quinolin-7-yl]quinoline;2-phenyl-9-[3-[2-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165060350
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline?
The IUPAC name of 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline (CID 122431219) is 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline.
What is the SMILES notation for 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline?
The canonical SMILES for 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline is c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccnc6ccccc56)cc(-c5ccnc6ccccc56)c4)nc(-c4cccc(-c5ccccc5)n4)n3)cc2)cc1.
What is the InChIKey of 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline?
The InChIKey is RHJXINUEDJYWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-12-33(13-4-1)34-22-24-36(25-23-34)48-54-49(56-50(55-48)47-21-11-20-44(53-47)35-14-5-2-6-15-35)39-31-37(40-26-28-51-45-18-9-7-16-42(40)45)30-38(32-39)41-27-29-52-46-19-10-8-17-43(41)46/h1-32H.
What are the key properties of 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline?
4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline has a molecular weight of 716.85 g/mol, XLogP of 12.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline is sourced from PubChem (CID 122431219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).