2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine

C33H29N3 — CID 159483746

IUPAC2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine
SMILESCCc1nc(CC)nc(C(C)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)n1
InChIInChI=1S/C33H29N3/c1-4-31-34-32(5-2)36-33(35-31)21(3)22-11-10-12-23(19-22)24-17-18-29-27-15-7-6-13-25(27)26-14-8-9-16-28(26)30(29)20-24/h6-21H,4-5H2,1-3H3
InChIKeyRRVPMLJROIPPRQ-UHFFFAOYSA-N
MW467.62 g/mol
LogP8.27
Rot. Bonds5

About 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine

2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine (PubChem CID 159483746) has the molecular formula C33H29N3 and a molecular weight of 467.62 g/mol. Its IUPAC name is 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine
PubChem CID159483746
Molecular FormulaC33H29N3
Molecular Weight467.62 g/mol
Exact Mass467.24
IUPAC Name2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine
SMILESCCc1nc(CC)nc(C(C)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)n1
InChIInChI=1S/C33H29N3/c1-4-31-34-32(5-2)36-33(35-31)21(3)22-11-10-12-23(19-22)24-17-18-29-27-15-7-6-13-25(27)26-14-8-9-16-28(26)30(29)20-24/h6-21H,4-5H2,1-3H3
InChIKeyRRVPMLJROIPPRQ-UHFFFAOYSA-N
XLogP8.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 145096754
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
trimethyl-[4-[4-(4-trimethylsilylphenyl)-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 176645481
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
ethane;2-(3-methylphenyl)triphenylene
CID 90881937

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine?
The IUPAC name of 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine (CID 159483746) is 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine is CCc1nc(CC)nc(C(C)c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)n1.
What is the InChIKey of 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine?
The InChIKey is RRVPMLJROIPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3/c1-4-31-34-32(5-2)36-33(35-31)21(3)22-11-10-12-23(19-22)24-17-18-29-27-15-7-6-13-25(27)26-14-8-9-16-28(26)30(29)20-24/h6-21H,4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine?
2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine has a molecular weight of 467.62 g/mol, XLogP of 8.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-[1-(3-triphenylen-2-ylphenyl)ethyl]-1,3,5-triazine is sourced from PubChem (CID 159483746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).