2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C48H33N3S — CID 118651092

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)n3)cc21
InChIInChI=1S/C48H33N3S/c1-48(2)41-22-10-9-17-36(41)37-28-27-34(29-42(37)48)46-49-45(33-25-23-31(24-26-33)30-13-5-3-6-14-30)50-47(51-46)40-21-12-20-39-38-19-11-18-35(43(38)52-44(39)40)32-15-7-4-8-16-32/h3-29H,1-2H3
InChIKeyMUNBCRLHJQNOOK-UHFFFAOYSA-N
MW683.88 g/mol
LogP12.88
Rot. Bonds5

About 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 118651092) has the molecular formula C48H33N3S and a molecular weight of 683.88 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID118651092
Molecular FormulaC48H33N3S
Molecular Weight683.88 g/mol
Exact Mass683.24
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)n3)cc21
InChIInChI=1S/C48H33N3S/c1-48(2)41-22-10-9-17-36(41)37-28-27-34(29-42(37)48)46-49-45(33-25-23-31(24-26-33)30-13-5-3-6-14-30)50-47(51-46)40-21-12-20-39-38-19-11-18-35(43(38)52-44(39)40)32-15-7-4-8-16-32/h3-29H,1-2H3
InChIKeyMUNBCRLHJQNOOK-UHFFFAOYSA-N
XLogP12.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244928
9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 146617191
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130289429
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-[4-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 171761031
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828267
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828286
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828284

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 118651092) is 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is MUNBCRLHJQNOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3S/c1-48(2)41-22-10-9-17-36(41)37-28-27-34(29-42(37)48)46-49-45(33-25-23-31(24-26-33)30-13-5-3-6-14-30)50-47(51-46)40-21-12-20-39-38-19-11-18-35(43(38)52-44(39)40)32-15-7-4-8-16-32/h3-29H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 683.88 g/mol, XLogP of 12.88, 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-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118651092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).