2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine

C50H33N3S — CID 176587952

IUPAC2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc21
InChIInChI=1S/C50H33N3S/c1-50(2)43-13-7-5-11-39(43)40-23-21-36(28-44(40)50)48-51-47(52-49(53-48)37-22-24-42-41-12-6-8-14-45(41)54-46(42)29-37)35-20-17-31-16-19-34(26-38(31)27-35)33-18-15-30-9-3-4-10-32(30)25-33/h3-29H,1-2H3
InChIKeyAEUILWSCZCIECA-UHFFFAOYSA-N
MW707.90 g/mol
LogP13.52
Rot. Bonds4

About 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine

2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 176587952) has the molecular formula C50H33N3S and a molecular weight of 707.90 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID176587952
Molecular FormulaC50H33N3S
Molecular Weight707.90 g/mol
Exact Mass707.24
IUPAC Name2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc21
InChIInChI=1S/C50H33N3S/c1-50(2)43-13-7-5-11-39(43)40-23-21-36(28-44(40)50)48-51-47(52-49(53-48)37-22-24-42-41-12-6-8-14-45(41)54-46(42)29-37)35-20-17-31-16-19-34(26-38(31)27-35)33-18-15-30-9-3-4-10-32(30)25-33/h3-29H,1-2H3
InChIKeyAEUILWSCZCIECA-UHFFFAOYSA-N
XLogP13.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.90
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 154624618
[4-[4-dibenzothiophen-3-yl-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177088299
2-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153284115
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylnaphtho[1,2-b][1]benzothiol-3-yl)-1,3,5-triazine
CID 155473877
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidine
CID 171583556
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369807
4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603496
3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-phenyldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(2-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(3-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(4-phenylphenyl)dibenzothiophene
CID 157076089

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine (CID 176587952) is 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc21.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is AEUILWSCZCIECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3S/c1-50(2)43-13-7-5-11-39(43)40-23-21-36(28-44(40)50)48-51-47(52-49(53-48)37-22-24-42-41-12-6-8-14-45(41)54-46(42)29-37)35-20-17-31-16-19-34(26-38(31)27-35)33-18-15-30-9-3-4-10-32(30)25-33/h3-29H,1-2H3.
What are the key properties of 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 707.90 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 176587952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).