2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C54H37N3S — CID 121244928

IUPAC2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc21
InChIInChI=1S/C54H37N3S/c1-54(2)47-30-28-37(34-15-6-3-7-16-34)32-46(47)43-29-27-39(33-48(43)54)42-24-14-26-45-44-25-13-23-41(49(44)58-50(42)45)38-21-12-22-40(31-38)53-56-51(35-17-8-4-9-18-35)55-52(57-53)36-19-10-5-11-20-36/h3-33H,1-2H3
InChIKeyRWELTYJYEIVRRH-UHFFFAOYSA-N
MW759.98 g/mol
LogP14.55
Rot. Bonds6

About 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 121244928) has the molecular formula C54H37N3S and a molecular weight of 759.98 g/mol. Its IUPAC name is 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID121244928
Molecular FormulaC54H37N3S
Molecular Weight759.98 g/mol
Exact Mass759.27
IUPAC Name2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc21
InChIInChI=1S/C54H37N3S/c1-54(2)47-30-28-37(34-15-6-3-7-16-34)32-46(47)43-29-27-39(33-48(43)54)42-24-14-26-45-44-25-13-23-41(49(44)58-50(42)45)38-21-12-22-40(31-38)53-56-51(35-17-8-4-9-18-35)55-52(57-53)36-19-10-5-11-20-36/h3-33H,1-2H3
InChIKeyRWELTYJYEIVRRH-UHFFFAOYSA-N
XLogP14.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.98
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 118651092
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779800

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 121244928) is 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccc(-c3ccccc3)cc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc21.
What is the InChIKey of 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RWELTYJYEIVRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3S/c1-54(2)47-30-28-37(34-15-6-3-7-16-34)32-46(47)43-29-27-39(33-48(43)54)42-24-14-26-45-44-25-13-23-41(49(44)58-50(42)45)38-21-12-22-40(31-38)53-56-51(35-17-8-4-9-18-35)55-52(57-53)36-19-10-5-11-20-36/h3-33H,1-2H3.
What are the key properties of 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 759.98 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 121244928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).