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

C33H21N5 — CID 122426515

IUPAC3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cnc5ccccc5c4)nc(-c4cnc5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C33H21N5/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-36-32(27-18-25-10-4-6-12-29(25)34-20-27)38-33(37-31)28-19-26-11-5-7-13-30(26)35-21-28/h1-21H
InChIKeyZAUVFVSWPFMQNM-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.64
Rot. Bonds4

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

3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline (PubChem CID 122426515) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
PubChem CID122426515
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cnc5ccccc5c4)nc(-c4cnc5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C33H21N5/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-36-32(27-18-25-10-4-6-12-29(25)34-20-27)38-33(37-31)28-19-26-11-5-7-13-30(26)35-21-28/h1-21H
InChIKeyZAUVFVSWPFMQNM-UHFFFAOYSA-N
XLogP7.64
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
3-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 167411606
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
3-[4-[4-phenyl-6-[11-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165151053
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
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
3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline (CID 122426515) is 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline is c1ccc(-c2ccc(-c3nc(-c4cnc5ccccc5c4)nc(-c4cnc5ccccc5c4)n3)cc2)cc1.
What is the InChIKey of 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline?
The InChIKey is ZAUVFVSWPFMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-36-32(27-18-25-10-4-6-12-29(25)34-20-27)38-33(37-31)28-19-26-11-5-7-13-30(26)35-21-28/h1-21H.
What are the key properties of 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline?
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline has a molecular weight of 487.57 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 122426515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).