2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine

C39H31N3O — CID 163671940

IUPAC2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2C1(C)C
InChIInChI=1S/C39H31N3O/c1-38(2)31-19-10-8-15-26(31)29-17-12-18-30(34(29)39(38,3)4)37-41-35(24-13-6-5-7-14-24)40-36(42-37)25-21-22-28-27-16-9-11-20-32(27)43-33(28)23-25/h5-23H,1-4H3
InChIKeyKZALSIAIBBSVKZ-UHFFFAOYSA-N
MW557.70 g/mol
LogP10.01
Rot. Bonds3

About 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine (PubChem CID 163671940) has the molecular formula C39H31N3O and a molecular weight of 557.70 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
PubChem CID163671940
Molecular FormulaC39H31N3O
Molecular Weight557.70 g/mol
Exact Mass557.25
IUPAC Name2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2C1(C)C
InChIInChI=1S/C39H31N3O/c1-38(2)31-19-10-8-15-26(31)29-17-12-18-30(34(29)39(38,3)4)37-41-35(24-13-6-5-7-14-24)40-36(42-37)25-21-22-28-27-16-9-11-20-32(27)43-33(28)23-25/h5-23H,1-4H3
InChIKeyKZALSIAIBBSVKZ-UHFFFAOYSA-N
XLogP10.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
CID 163822142
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163803074
2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)-1,3,5-triazine
CID 163495186
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
2-dibenzofuran-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286
2-dibenzofuran-3-yl-4-(7,7-dimethylbenzo[c]fluoren-5-yl)-6-phenyl-1,3,5-triazine
CID 155474303
2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680899
2-dibenzofuran-1-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163459685
2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-yl-1,3,5-triazine
CID 164720943
2,4-diphenyl-6-[4-(9,9,10,10-tetramethylphenanthren-1-yl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[2-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]-1,3,5-triazine
CID 163876078

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine (CID 163671940) is 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2C1(C)C.
What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine?
The InChIKey is KZALSIAIBBSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3O/c1-38(2)31-19-10-8-15-26(31)29-17-12-18-30(34(29)39(38,3)4)37-41-35(24-13-6-5-7-14-24)40-36(42-37)25-21-22-28-27-16-9-11-20-32(27)43-33(28)23-25/h5-23H,1-4H3.
What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine has a molecular weight of 557.70 g/mol, XLogP of 10.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine is sourced from PubChem (CID 163671940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).