6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline

C40H26N4 — CID 166569220

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)n2)cc1
InChIInChI=1S/C40H26N4/c1-5-15-27(16-6-1)33-25-35(28-17-7-2-8-18-28)41-36-26-34(31-23-13-14-24-32(31)37(33)36)40-43-38(29-19-9-3-10-20-29)42-39(44-40)30-21-11-4-12-22-30/h1-26H
InChIKeyJCNXRCVFWFRFTB-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline (PubChem CID 166569220) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline
PubChem CID166569220
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)n2)cc1
InChIInChI=1S/C40H26N4/c1-5-15-27(16-6-1)33-25-35(28-17-7-2-8-18-28)41-36-26-34(31-23-13-14-24-32(31)37(33)36)40-43-38(29-19-9-3-10-20-29)42-39(44-40)30-21-11-4-12-22-30/h1-26H
InChIKeyJCNXRCVFWFRFTB-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568779
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569171
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568805
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569017
6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568781
1,3-diphenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 166569175
3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643749
7-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569134
6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569122
6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline
CID 166569130
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline (CID 166569220) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccccc3)c3c(cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)n2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline?
The InChIKey is JCNXRCVFWFRFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-5-15-27(16-6-1)33-25-35(28-17-7-2-8-18-28)41-36-26-34(31-23-13-14-24-32(31)37(33)36)40-43-38(29-19-9-3-10-20-29)42-39(44-40)30-21-11-4-12-22-30/h1-26H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166569220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).