2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine

C52H35N3O — CID 176818255

IUPAC2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc5oc6c7ccccc7c(-c7ccccc7)cc6c5c4)nc(-c4ccccc4-c4ccccc4)n3)ccc21
InChIInChI=1S/C52H35N3O/c1-52(2)45-24-14-13-21-38(45)42-29-34(25-27-46(42)52)49-53-50(55-51(54-49)40-23-12-9-19-36(40)32-15-5-3-6-16-32)35-26-28-47-43(30-35)44-31-41(33-17-7-4-8-18-33)37-20-10-11-22-39(37)48(44)56-47/h3-31H,1-2H3
InChIKeyZZEZJFGDIVNWHM-UHFFFAOYSA-N
MW717.87 g/mol
LogP13.57
Rot. Bonds5

About 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine

2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 176818255) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID176818255
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc5oc6c7ccccc7c(-c7ccccc7)cc6c5c4)nc(-c4ccccc4-c4ccccc4)n3)ccc21
InChIInChI=1S/C52H35N3O/c1-52(2)45-24-14-13-21-38(45)42-29-34(25-27-46(42)52)49-53-50(55-51(54-49)40-23-12-9-19-36(40)32-15-5-3-6-16-32)35-26-28-47-43(30-35)44-31-41(33-17-7-4-8-18-33)37-20-10-11-22-39(37)48(44)56-47/h3-31H,1-2H3
InChIKeyZZEZJFGDIVNWHM-UHFFFAOYSA-N
XLogP13.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 176818482
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
2-dibenzofuran-4-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602477
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 130232863
2-(9,9-dimethylfluoren-3-yl)-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-6-phenyl-1,3,5-triazine
CID 167689727
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-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 153288086
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427313

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 176818255) is 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc5oc6c7ccccc7c(-c7ccccc7)cc6c5c4)nc(-c4ccccc4-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is ZZEZJFGDIVNWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-52(2)45-24-14-13-21-38(45)42-29-34(25-27-46(42)52)49-53-50(55-51(54-49)40-23-12-9-19-36(40)32-15-5-3-6-16-32)35-26-28-47-43(30-35)44-31-41(33-17-7-4-8-18-33)37-20-10-11-22-39(37)48(44)56-47/h3-31H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 717.87 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-3-yl)-4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176818255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).