4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

C43H31N3 — CID 166696111

IUPAC4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)N2)cc1
InChIInChI=1S/C43H31N3/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)39-26-25-31(32-17-7-11-21-36(32)39)30-23-24-38-35-20-9-8-18-33(35)34-19-10-12-22-37(34)40(38)27-30/h1-27,41,43,45H,(H,44,46)
InChIKeySDOGWEODTZWURA-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.30
Rot. Bonds4

About 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 166696111) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID166696111
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)N2)cc1
InChIInChI=1S/C43H31N3/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)39-26-25-31(32-17-7-11-21-36(32)39)30-23-24-38-35-20-9-8-18-33(35)34-19-10-12-22-37(34)40(38)27-30/h1-27,41,43,45H,(H,44,46)
InChIKeySDOGWEODTZWURA-UHFFFAOYSA-N
XLogP10.30
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
4,6-diphenyl-2-[3-[1-(4-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145415056
6-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
CID 118952140
2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145377633
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
6-[5-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-triphenylen-2-ylphenyl]naphthalen-1-yl]-4a,5-dihydrophenanthridine
CID 137208901
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174269557
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenanthren-9-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504715
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole
CID 129099185

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 166696111) is 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)N2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is SDOGWEODTZWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)39-26-25-31(32-17-7-11-21-36(32)39)30-23-24-38-35-20-9-8-18-33(35)34-19-10-12-22-37(34)40(38)27-30/h1-27,41,43,45H,(H,44,46).
What are the key properties of 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 589.74 g/mol, XLogP of 10.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 166696111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).