6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline

C44H28N4 — CID 148799721

IUPAC6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/C44H28N4/c1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)39-26-25-34(35-17-7-8-18-36(35)39)29-21-23-30(24-22-29)40-28-33-16-11-27-45-41(33)38-20-10-9-19-37(38)40/h1-28H
InChIKeyONUDKMTXNFITQE-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.06
Rot. Bonds5

About 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline

6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline (PubChem CID 148799721) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
PubChem CID148799721
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/C44H28N4/c1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)39-26-25-34(35-17-7-8-18-36(35)39)29-21-23-30(24-22-29)40-28-33-16-11-27-45-41(33)38-20-10-9-19-37(38)40/h1-28H
InChIKeyONUDKMTXNFITQE-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline with MolForge

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Related Compounds

6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[h]quinoline
CID 149456781
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
5-[3-[4,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466323
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 152916568
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 147415127
2-[6-[4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 176632448
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline
CID 137472762
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline
CID 174287405

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline?
The IUPAC name of 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline (CID 148799721) is 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline.
What is the SMILES notation for 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline?
The canonical SMILES for 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c4ccccc34)n2)cc1.
What is the InChIKey of 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline?
The InChIKey is ONUDKMTXNFITQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)39-26-25-34(35-17-7-8-18-36(35)39)29-21-23-30(24-22-29)40-28-33-16-11-27-45-41(33)38-20-10-9-19-37(38)40/h1-28H.
What are the key properties of 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline?
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 148799721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).