8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline

C48H38N4 — CID 130392474

IUPAC8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(C5(c6ccc(-c7cccc8cccnc78)cc6)CCCCC5)cc4)n3)cc2)cc1
InChIInChI=1S/C48H38N4/c1-4-12-34(13-5-1)35-19-21-39(22-20-35)46-50-45(38-14-6-2-7-15-38)51-47(52-46)40-25-29-42(30-26-40)48(31-8-3-9-32-48)41-27-23-36(24-28-41)43-18-10-16-37-17-11-33-49-44(37)43/h1-2,4-7,10-30,33H,3,8-9,31-32H2
InChIKeyOZOMJPJDWXPGAX-UHFFFAOYSA-N
MW670.86 g/mol
LogP12.01
Rot. Bonds7

About 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline

8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline (PubChem CID 130392474) has the molecular formula C48H38N4 and a molecular weight of 670.86 g/mol. Its IUPAC name is 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline
PubChem CID130392474
Molecular FormulaC48H38N4
Molecular Weight670.86 g/mol
Exact Mass670.31
IUPAC Name8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(C5(c6ccc(-c7cccc8cccnc78)cc6)CCCCC5)cc4)n3)cc2)cc1
InChIInChI=1S/C48H38N4/c1-4-12-34(13-5-1)35-19-21-39(22-20-35)46-50-45(38-14-6-2-7-15-38)51-47(52-46)40-25-29-42(30-26-40)48(31-8-3-9-32-48)41-27-23-36(24-28-41)43-18-10-16-37-17-11-33-49-44(37)43/h1-2,4-7,10-30,33H,3,8-9,31-32H2
InChIKeyOZOMJPJDWXPGAX-UHFFFAOYSA-N
XLogP12.01
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.86
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569
8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315542
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315437
2,4-diphenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 130392322
2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412
2-naphthalen-2-yl-4-phenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315528
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315629
2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 130392354
8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 169066562

Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline?
The IUPAC name of 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline (CID 130392474) is 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline?
The canonical SMILES for 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(C5(c6ccc(-c7cccc8cccnc78)cc6)CCCCC5)cc4)n3)cc2)cc1.
What is the InChIKey of 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline?
The InChIKey is OZOMJPJDWXPGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4/c1-4-12-34(13-5-1)35-19-21-39(22-20-35)46-50-45(38-14-6-2-7-15-38)51-47(52-46)40-25-29-42(30-26-40)48(31-8-3-9-32-48)41-27-23-36(24-28-41)43-18-10-16-37-17-11-33-49-44(37)43/h1-2,4-7,10-30,33H,3,8-9,31-32H2.
What are the key properties of 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline?
8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline has a molecular weight of 670.86 g/mol, XLogP of 12.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline is sourced from PubChem (CID 130392474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).