2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

C47H31N3O — CID 170680899

IUPAC2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)c21
InChIInChI=1S/C47H31N3O/c1-47(33-19-9-4-10-20-33)39-25-12-11-21-35(39)36-23-13-24-38(43(36)47)46-49-44(31-17-7-3-8-18-31)48-45(50-46)32-27-28-37-41(29-32)51-40-26-14-22-34(42(37)40)30-15-5-2-6-16-30/h2-29H,1H3
InChIKeyOKPCXJQBXMCVQU-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.77
Rot. Bonds5

About 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 170680899) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID170680899
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)c21
InChIInChI=1S/C47H31N3O/c1-47(33-19-9-4-10-20-33)39-25-12-11-21-35(39)36-23-13-24-38(43(36)47)46-49-44(31-17-7-3-8-18-31)48-45(50-46)32-27-28-37-41(29-32)51-40-26-14-22-34(42(37)40)30-15-5-2-6-16-30/h2-29H,1H3
InChIKeyOKPCXJQBXMCVQU-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
2-(9,9-dimethylfluoren-1-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170681149
2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680833
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-(9,9-diphenylfluoren-3-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170680887
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
2-(9,9-dimethylfluoren-1-yl)-4-naphthalen-2-yl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681008
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
4-(4-dibenzofuran-1-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602265
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

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 170680899) is 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is CC1(c2ccccc2)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)c21.
What is the InChIKey of 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is OKPCXJQBXMCVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-47(33-19-9-4-10-20-33)39-25-12-11-21-35(39)36-23-13-24-38(43(36)47)46-49-44(31-17-7-3-8-18-31)48-45(50-46)32-27-28-37-41(29-32)51-40-26-14-22-34(42(37)40)30-15-5-2-6-16-30/h2-29H,1H3.
What are the key properties of 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 653.79 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-9-phenylfluoren-1-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 170680899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).