2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C45H31N3O — CID 170218706

IUPAC2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=C(c2nc(C3=CC(c4ccc5ccccc5c4)Cc4oc5ccccc5c43)nc(-c3ccccc3)n2)CCc2c1ccc1ccccc21
InChIInChI=1S/C45H31N3O/c1-2-12-30(13-3-1)43-46-44(34-22-23-37-33(25-34)21-19-29-11-6-7-15-36(29)37)48-45(47-43)39-26-35(32-20-18-28-10-4-5-14-31(28)24-32)27-41-42(39)38-16-8-9-17-40(38)49-41/h1-21,24-26,35H,22-23,27H2
InChIKeyHDZQQYDXULESFI-UHFFFAOYSA-N
MW629.76 g/mol
LogP10.85
Rot. Bonds4

About 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170218706) has the molecular formula C45H31N3O and a molecular weight of 629.76 g/mol. Its IUPAC name is 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170218706
Molecular FormulaC45H31N3O
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC Name2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=C(c2nc(C3=CC(c4ccc5ccccc5c4)Cc4oc5ccccc5c43)nc(-c3ccccc3)n2)CCc2c1ccc1ccccc21
InChIInChI=1S/C45H31N3O/c1-2-12-30(13-3-1)43-46-44(34-22-23-37-33(25-34)21-19-29-11-6-7-15-36(29)37)48-45(47-43)39-26-35(32-20-18-28-10-4-5-14-31(28)24-32)27-41-42(39)38-16-8-9-17-40(38)49-41/h1-21,24-26,35H,22-23,27H2
InChIKeyHDZQQYDXULESFI-UHFFFAOYSA-N
XLogP10.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170008177
2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170424302
2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 170220077
2-naphthalen-2-yl-4-phenyl-6-(2-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 167007303
2-[3-methyl-9-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170423054
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117
2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167007289
2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine
CID 167403198
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167007605
4-[4-[3,5-di(dibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 155203986

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170218706) is 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=C(c2nc(C3=CC(c4ccc5ccccc5c4)Cc4oc5ccccc5c43)nc(-c3ccccc3)n2)CCc2c1ccc1ccccc21.
What is the InChIKey of 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is HDZQQYDXULESFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O/c1-2-12-30(13-3-1)43-46-44(34-22-23-37-33(25-34)21-19-29-11-6-7-15-36(29)37)48-45(47-43)39-26-35(32-20-18-28-10-4-5-14-31(28)24-32)27-41-42(39)38-16-8-9-17-40(38)49-41/h1-21,24-26,35H,22-23,27H2.
What are the key properties of 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 629.76 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170218706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).