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

C54H38N3O2P — CID 146505830

IUPAC2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
SMILESCP(C)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)c1
InChIInChI=1S/C54H38N3O2P/c1-60(2,58)41-23-14-17-36(33-41)35-16-13-18-37(32-35)51-55-52(38-30-31-43-42-24-10-12-29-48(42)59-49(43)34-38)57-53(56-51)45-26-15-28-47-50(45)44-25-9-11-27-46(44)54(47,39-19-5-3-6-20-39)40-21-7-4-8-22-40/h3-34H,1-2H3
InChIKeyYZOJCFCSUPPLAP-UHFFFAOYSA-N
MW791.89 g/mol
LogP13.05
Rot. Bonds7

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

2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (PubChem CID 146505830) has the molecular formula C54H38N3O2P and a molecular weight of 791.89 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
PubChem CID146505830
Molecular FormulaC54H38N3O2P
Molecular Weight791.89 g/mol
Exact Mass791.27
IUPAC Name2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
SMILESCP(C)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)c1
InChIInChI=1S/C54H38N3O2P/c1-60(2,58)41-23-14-17-36(33-41)35-16-13-18-37(32-35)51-55-52(38-30-31-43-42-24-10-12-29-48(42)59-49(43)34-38)57-53(56-51)45-26-15-28-47-50(45)44-25-9-11-27-46(44)54(47,39-19-5-3-6-20-39)40-21-7-4-8-22-40/h3-34H,1-2H3
InChIKeyYZOJCFCSUPPLAP-UHFFFAOYSA-N
XLogP13.05
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.89
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361088
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 146246094
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073
4-(4-dibenzofuran-3-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171603366
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (CID 146505830) is 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is CP(C)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The InChIKey is YZOJCFCSUPPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N3O2P/c1-60(2,58)41-23-14-17-36(33-41)35-16-13-18-37(32-35)51-55-52(38-30-31-43-42-24-10-12-29-48(42)59-49(43)34-38)57-53(56-51)45-26-15-28-47-50(45)44-25-9-11-27-46(44)54(47,39-19-5-3-6-20-39)40-21-7-4-8-22-40/h3-34H,1-2H3.
What are the key properties of 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine has a molecular weight of 791.89 g/mol, XLogP of 13.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is sourced from PubChem (CID 146505830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).