2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C52H35N3O — CID 167424106

IUPAC2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc4c3oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C52H35N3O/c1-52(2)44-23-12-11-22-40(44)41-26-24-36(31-45(41)52)42-29-38(30-43-47-39-21-10-9-16-33(39)25-27-46(47)56-48(42)43)51-54-49(34-17-7-4-8-18-34)53-50(55-51)37-20-13-19-35(28-37)32-14-5-3-6-15-32/h3-31H,1-2H3
InChIKeyHXEBGLXEASALDP-UHFFFAOYSA-N
MW717.87 g/mol
LogP13.57
Rot. Bonds5

About 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 167424106) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID167424106
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc4c3oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C52H35N3O/c1-52(2)44-23-12-11-22-40(44)41-26-24-36(31-45(41)52)42-29-38(30-43-47-39-21-10-9-16-33(39)25-27-46(47)56-48(42)43)51-54-49(34-17-7-4-8-18-34)53-50(55-51)37-20-13-19-35(28-37)32-14-5-3-6-15-32/h3-31H,1-2H3
InChIKeyHXEBGLXEASALDP-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-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
2,4-bis(9,9-dimethylfluoren-2-yl)-6-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154613803
2-dibenzofuran-3-yl-4-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165075040
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(3-phenylphenyl)-6-[6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-1,3,5-triazine
CID 164992606
2-(9,9-dimethylfluoren-2-yl)-4-[3-(4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393298
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
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
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2,6-diphenylpyridine;4-[4-(9,9-dimethyl-6-naphthalen-1-ylfluoren-2-yl)phenyl]dibenzofuran;2-[9,9-dimethyl-7-(6-phenyldibenzofuran-2-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159282220
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318

Frequently Asked Questions

What is the IUPAC name of 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 167424106) is 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc4c3oc3ccc5ccccc5c34)cc21.
What is the InChIKey of 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is HXEBGLXEASALDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-52(2)44-23-12-11-22-40(44)41-26-24-36(31-45(41)52)42-29-38(30-43-47-39-21-10-9-16-33(39)25-27-46(47)56-48(42)43)51-54-49(34-17-7-4-8-18-34)53-50(55-51)37-20-13-19-35(28-37)32-14-5-3-6-15-32/h3-31H,1-2H3.
What are the key properties of 2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-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-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167424106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).