2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine

C52H35N3O — CID 170681008

IUPAC2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)c4)nc(-c4ccc5ccccc5c4)n3)c21
InChIInChI=1S/C52H35N3O/c1-52(2)44-23-9-8-19-40(44)41-21-11-22-43(48(41)52)51-54-49(53-50(55-51)38-26-25-32-13-6-7-16-34(32)29-38)37-18-10-17-35(30-37)36-27-28-42-46(31-36)56-45-24-12-20-39(47(42)45)33-14-4-3-5-15-33/h3-31H,1-2H3
InChIKeyQOOQHANOCWKQNZ-UHFFFAOYSA-N
MW717.87 g/mol
LogP13.57
Rot. Bonds5

About 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine

2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine (PubChem CID 170681008) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
PubChem CID170681008
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)c4)nc(-c4ccc5ccccc5c4)n3)c21
InChIInChI=1S/C52H35N3O/c1-52(2)44-23-9-8-19-40(44)41-21-11-22-43(48(41)52)51-54-49(53-50(55-51)38-26-25-32-13-6-7-16-34(32)29-38)37-18-10-17-35(30-37)36-27-28-42-46(31-36)56-45-24-12-20-39(47(42)45)33-14-4-3-5-15-33/h3-31H,1-2H3
InChIKeyQOOQHANOCWKQNZ-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-(9,9-dimethylfluoren-1-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170681149
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680970
2-(9,9-dimethylfluoren-1-yl)-4-(9,9-dimethylfluoren-3-yl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681235
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681105
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680990
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenanthren-9-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680966
2-(9,9-dimethylfluoren-3-yl)-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 170680861
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine (CID 170681008) is 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)c4)nc(-c4ccc5ccccc5c4)n3)c21.
What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is QOOQHANOCWKQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-52(2)44-23-9-8-19-40(44)41-21-11-22-43(48(41)52)51-54-49(53-50(55-51)38-26-25-32-13-6-7-16-34(32)29-38)37-18-10-17-35(30-37)36-27-28-42-46(31-36)56-45-24-12-20-39(47(42)45)33-14-4-3-5-15-33/h3-31H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine?
2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-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-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170681008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).