2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine

C48H31N3O — CID 170927343

IUPAC2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(Cc3cccc4oc5ccc(-c6ccccc6-c6ccccc6)cc5c34)nc(-c3ccc4ccc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C48H31N3O/c1-3-12-31(13-4-1)38-18-9-10-20-40(38)35-26-27-43-42(28-35)46-36(17-11-21-44(46)52-43)30-45-49-47(34-15-5-2-6-16-34)51-48(50-45)37-25-24-33-23-22-32-14-7-8-19-39(32)41(33)29-37/h1-29H,30H2
InChIKeyNSTREIRHEPUZNK-UHFFFAOYSA-N
MW665.80 g/mol
LogP12.34
Rot. Bonds6

About 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine

2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine (PubChem CID 170927343) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
PubChem CID170927343
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC Name2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(Cc3cccc4oc5ccc(-c6ccccc6-c6ccccc6)cc5c34)nc(-c3ccc4ccc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C48H31N3O/c1-3-12-31(13-4-1)38-18-9-10-20-40(38)35-26-27-43-42(28-35)46-36(17-11-21-44(46)52-43)30-45-49-47(34-15-5-2-6-16-34)51-48(50-45)37-25-24-33-23-22-32-14-7-8-19-39(32)41(33)29-37/h1-29H,30H2
InChIKeyNSTREIRHEPUZNK-UHFFFAOYSA-N
XLogP12.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927310
2-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170927190
2-naphthalen-2-yl-4-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-6-phenyl-1,3,5-triazine
CID 170927092
2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170926440
2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927151
2-[4-(8-phenanthren-3-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946132
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166743660
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170926832
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
2-[3-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166848511

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The IUPAC name of 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine (CID 170927343) is 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine is c1ccc(-c2nc(Cc3cccc4oc5ccc(-c6ccccc6-c6ccccc6)cc5c34)nc(-c3ccc4ccc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The InChIKey is NSTREIRHEPUZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-3-12-31(13-4-1)38-18-9-10-20-40(38)35-26-27-43-42(28-35)46-36(17-11-21-44(46)52-43)30-45-49-47(34-15-5-2-6-16-34)51-48(50-45)37-25-24-33-23-22-32-14-7-8-19-39(32)41(33)29-37/h1-29H,30H2.
What are the key properties of 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine has a molecular weight of 665.80 g/mol, XLogP of 12.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine is sourced from PubChem (CID 170927343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).