7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline

C34H22N4 — CID 155792694

IUPAC7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4ccc4cccnc45)n3)cc2)cc1
InChIInChI=1S/C34H22N4/c1-3-9-23(10-4-1)24-16-18-27(19-17-24)33-36-32(26-11-5-2-6-12-26)37-34(38-33)30-15-7-14-29-28(30)21-20-25-13-8-22-35-31(25)29/h1-22H
InChIKeyGJVOAVOPMMUDGX-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.24
Rot. Bonds4

About 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline

7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline (PubChem CID 155792694) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline.

Molecular Properties

Compound Name7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
PubChem CID155792694
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4ccc4cccnc45)n3)cc2)cc1
InChIInChI=1S/C34H22N4/c1-3-9-23(10-4-1)24-16-18-27(19-17-24)33-36-32(26-11-5-2-6-12-26)37-34(38-33)30-15-7-14-29-28(30)21-20-25-13-8-22-35-31(25)29/h1-22H
InChIKeyGJVOAVOPMMUDGX-UHFFFAOYSA-N
XLogP8.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.24
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

7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
8-[4-phenyl-6-[6-(4-phenyl-6-quinolin-8-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 146230600
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline
CID 174287405
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 148799721
6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;7-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine
CID 158599286
6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[h]quinoline
CID 149456781
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
4-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168213

Frequently Asked Questions

What is the IUPAC name of 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline?
The IUPAC name of 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline (CID 155792694) is 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline.
What is the SMILES notation for 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline?
The canonical SMILES for 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4ccc4cccnc45)n3)cc2)cc1.
What is the InChIKey of 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline?
The InChIKey is GJVOAVOPMMUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-9-23(10-4-1)24-16-18-27(19-17-24)33-36-32(26-11-5-2-6-12-26)37-34(38-33)30-15-7-14-29-28(30)21-20-25-13-8-22-35-31(25)29/h1-22H.
What are the key properties of 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline?
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline has a molecular weight of 486.58 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline is sourced from PubChem (CID 155792694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).