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

C38H24N4 — CID 58322558

IUPAC3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc2c1
InChIInChI=1S/C38H24N4/c1-4-14-31-26(9-1)12-7-16-33(31)37-40-36(41-38(42-37)34-17-8-13-27-10-2-5-15-32(27)34)28-21-19-25(20-22-28)30-23-29-11-3-6-18-35(29)39-24-30/h1-24H
InChIKeyKRUINUIKSGZNMS-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

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

3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 58322558) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID58322558
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc2c1
InChIInChI=1S/C38H24N4/c1-4-14-31-26(9-1)12-7-16-33(31)37-40-36(41-38(42-37)34-17-8-13-27-10-2-5-15-32(27)34)28-21-19-25(20-22-28)30-23-29-11-3-6-18-35(29)39-24-30/h1-24H
InChIKeyKRUINUIKSGZNMS-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165062621
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
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
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 122426450
3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 121402286
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 58322558) is 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc2c1.
What is the InChIKey of 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is KRUINUIKSGZNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-4-14-31-26(9-1)12-7-16-33(31)37-40-36(41-38(42-37)34-17-8-13-27-10-2-5-15-32(27)34)28-21-19-25(20-22-28)30-23-29-11-3-6-18-35(29)39-24-30/h1-24H.
What are the key properties of 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline?
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 58322558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).