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

C48H33N3O — CID 121244824

IUPAC2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3oc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)ccc21
InChIInChI=1S/C48H33N3O/c1-48(2)41-25-10-9-20-37(41)40-29-33(26-27-42(40)48)36-22-13-24-39-38-23-12-21-35(43(38)52-44(36)39)32-18-11-19-34(28-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31/h3-29H,1-2H3
InChIKeySVBLDDQFVVDTSE-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.41
Rot. Bonds5

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

2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 121244824) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID121244824
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3oc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)ccc21
InChIInChI=1S/C48H33N3O/c1-48(2)41-25-10-9-20-37(41)40-29-33(26-27-42(40)48)36-22-13-24-39-38-23-12-21-35(43(38)52-44(36)39)32-18-11-19-34(28-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31/h3-29H,1-2H3
InChIKeySVBLDDQFVVDTSE-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
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
4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779102
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584972
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 121244824) is 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cccc4c3oc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)ccc21.
What is the InChIKey of 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SVBLDDQFVVDTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-48(2)41-25-10-9-20-37(41)40-29-33(26-27-42(40)48)36-22-13-24-39-38-23-12-21-35(43(38)52-44(36)39)32-18-11-19-34(28-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31/h3-29H,1-2H3.
What are the key properties of 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 667.81 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 121244824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).