2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine

C47H31N3 — CID 170366009

IUPAC2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)CCc3cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c3-4)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-12-31(13-4-1)45-48-46(32-14-5-2-6-15-32)50-47(49-45)35-25-26-37-33(28-35)23-22-30-16-11-21-36(44(30)37)34-24-27-42-40-19-8-7-17-38(40)39-18-9-10-20-41(39)43(42)29-34/h1-21,24-29H,22-23H2
InChIKeyCGZYSRVKQUIITR-UHFFFAOYSA-N
MW637.79 g/mol
LogP11.76
Rot. Bonds4

About 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine

2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine (PubChem CID 170366009) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine
PubChem CID170366009
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)CCc3cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c3-4)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-12-31(13-4-1)45-48-46(32-14-5-2-6-15-32)50-47(49-45)35-25-26-37-33(28-35)23-22-30-16-11-21-36(44(30)37)34-24-27-42-40-19-8-7-17-38(40)39-18-9-10-20-41(39)43(42)29-34/h1-21,24-29H,22-23H2
InChIKeyCGZYSRVKQUIITR-UHFFFAOYSA-N
XLogP11.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
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
2,4-diphenyl-6-[3-[6-(4-phenylphenyl)-7-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 139454848
2,4-diphenyl-6-[7-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 154624594
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
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2,4-diphenyl-6-(2-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 147282825
2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine
CID 88923619

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine (CID 170366009) is 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)CCc3cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c3-4)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine?
The InChIKey is CGZYSRVKQUIITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-12-31(13-4-1)45-48-46(32-14-5-2-6-15-32)50-47(49-45)35-25-26-37-33(28-35)23-22-30-16-11-21-36(44(30)37)34-24-27-42-40-19-8-7-17-38(40)39-18-9-10-20-41(39)43(42)29-34/h1-21,24-29H,22-23H2.
What are the key properties of 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine?
2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine has a molecular weight of 637.79 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170366009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).