2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine

C48H31N3OS — CID 162775350

IUPAC2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6sc7ccccc7c56)c5c(c4)oc4ccccc45)n3)cc21
InChIInChI=1S/C48H31N3OS/c1-48(2)37-19-9-6-15-31(37)32-24-23-29(26-38(32)48)46-49-45(28-13-4-3-5-14-28)50-47(51-46)30-25-36(43-34-16-7-10-20-39(34)52-40(43)27-30)33-18-12-22-42-44(33)35-17-8-11-21-41(35)53-42/h3-27H,1-2H3
InChIKeyWGFXJFINZOYELN-UHFFFAOYSA-N
MW697.86 g/mol
LogP13.11
Rot. Bonds4

About 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine

2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 162775350) has the molecular formula C48H31N3OS and a molecular weight of 697.86 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID162775350
Molecular FormulaC48H31N3OS
Molecular Weight697.86 g/mol
Exact Mass697.22
IUPAC Name2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6sc7ccccc7c56)c5c(c4)oc4ccccc45)n3)cc21
InChIInChI=1S/C48H31N3OS/c1-48(2)37-19-9-6-15-31(37)32-24-23-29(26-38(32)48)46-49-45(28-13-4-3-5-14-28)50-47(51-46)30-25-36(43-34-16-7-10-20-39(34)52-40(43)27-30)33-18-12-22-42-44(33)35-17-8-11-21-41(35)53-42/h3-27H,1-2H3
InChIKeyWGFXJFINZOYELN-UHFFFAOYSA-N
XLogP13.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.86
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 163970281
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162775179
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170301829
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-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369807
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003181
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-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163633816
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine
CID 154938570

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (CID 162775350) is 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6sc7ccccc7c56)c5c(c4)oc4ccccc45)n3)cc21.
What is the InChIKey of 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is WGFXJFINZOYELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3OS/c1-48(2)37-19-9-6-15-31(37)32-24-23-29(26-38(32)48)46-49-45(28-13-4-3-5-14-28)50-47(51-46)30-25-36(43-34-16-7-10-20-39(34)52-40(43)27-30)33-18-12-22-42-44(33)35-17-8-11-21-41(35)53-42/h3-27H,1-2H3.
What are the key properties of 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 697.86 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 162775350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).