2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C48H33N3O — CID 153369020

IUPAC2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c4c3)ccc21
InChIInChI=1S/C48H33N3O/c1-48(2)40-21-10-9-19-36(40)38-28-33(23-25-41(38)48)34-24-26-42-39(29-34)44-37(20-12-22-43(44)52-42)47-50-45(31-15-7-4-8-16-31)49-46(51-47)35-18-11-17-32(27-35)30-13-5-3-6-14-30/h3-29H,1-2H3
InChIKeyYPCMBLVMHLHHCL-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.41
Rot. Bonds5

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

2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 153369020) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID153369020
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c4c3)ccc21
InChIInChI=1S/C48H33N3O/c1-48(2)40-21-10-9-19-36(40)38-28-33(23-25-41(38)48)34-24-26-42-39(29-34)44-37(20-12-22-43(44)52-42)47-50-45(31-15-7-4-8-16-31)49-46(51-47)35-18-11-17-32(27-35)30-13-5-3-6-14-30/h3-29H,1-2H3
InChIKeyYPCMBLVMHLHHCL-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

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Related Compounds

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
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002484
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475
2-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369396
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225

Frequently Asked Questions

What is the IUPAC name of 2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 153369020) is 2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c4c3)ccc21.
What is the InChIKey of 2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is YPCMBLVMHLHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-48(2)40-21-10-9-19-36(40)38-28-33(23-25-41(38)48)34-24-26-42-39(29-34)44-37(20-12-22-43(44)52-42)47-50-45(31-15-7-4-8-16-31)49-46(51-47)35-18-11-17-32(27-35)30-13-5-3-6-14-30/h3-29H,1-2H3.
What are the key properties of 2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-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-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153369020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).