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

C48H33N3O — CID 170680942

IUPAC2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cccc21
InChIInChI=1S/C48H33N3O/c1-48(2)39-20-10-9-17-36(39)43-38(19-11-21-40(43)48)47-50-45(33-15-7-4-8-16-33)49-46(51-47)34-27-28-37-42(29-34)52-41-22-12-18-35(44(37)41)32-25-23-31(24-26-32)30-13-5-3-6-14-30/h3-29H,1-2H3
InChIKeyPKWFJODAXHZVCG-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.41
Rot. Bonds5

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

2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 170680942) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID170680942
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cccc21
InChIInChI=1S/C48H33N3O/c1-48(2)39-20-10-9-17-36(39)43-38(19-11-21-40(43)48)47-50-45(33-15-7-4-8-16-33)49-46(51-47)34-27-28-37-42(29-34)52-41-22-12-18-35(44(37)41)32-25-23-31(24-26-32)30-13-5-3-6-14-30/h3-29H,1-2H3
InChIKeyPKWFJODAXHZVCG-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-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681081
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[3-[9-(3-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681289
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680990
2-(9,9-dimethylfluoren-4-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[3-[9-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681134
2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681114
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282
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-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 170680942) is 2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is PKWFJODAXHZVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-48(2)39-20-10-9-17-36(39)43-38(19-11-21-40(43)48)47-50-45(33-15-7-4-8-16-33)49-46(51-47)34-27-28-37-42(29-34)52-41-22-12-18-35(44(37)41)32-25-23-31(24-26-32)30-13-5-3-6-14-30/h3-29H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-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-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 170680942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).