9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole

C47H31N5S — CID 156577869

IUPAC9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)cc21
InChIInChI=1S/C47H31N5S/c1-47(2)38-19-8-6-14-31(38)32-23-21-29(26-39(32)47)44-49-43(28-12-4-3-5-13-28)50-45(51-44)37-17-10-16-35-34-24-22-30(27-41(34)53-42(35)37)52-40-20-9-7-15-33(40)36-18-11-25-48-46(36)52/h3-27H,1-2H3
InChIKeyXMNIMNBNEUUQBV-UHFFFAOYSA-N
MW697.87 g/mol
LogP12.04
Rot. Bonds4

About 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole

9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole (PubChem CID 156577869) has the molecular formula C47H31N5S and a molecular weight of 697.87 g/mol. Its IUPAC name is 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
PubChem CID156577869
Molecular FormulaC47H31N5S
Molecular Weight697.87 g/mol
Exact Mass697.23
IUPAC Name9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)cc21
InChIInChI=1S/C47H31N5S/c1-47(2)38-19-8-6-14-31(38)32-23-21-29(26-39(32)47)44-49-43(28-12-4-3-5-13-28)50-45(51-44)37-17-10-16-35-34-24-22-30(27-41(34)53-42(35)37)52-40-20-9-7-15-33(40)36-18-11-25-48-46(36)52/h3-27H,1-2H3
InChIKeyXMNIMNBNEUUQBV-UHFFFAOYSA-N
XLogP12.04
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.87
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole 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

9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577666
9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 169276082
9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 146617191
9-[6-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 169276085
9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]pyrido[2,3-b]indole
CID 156578056
5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166952811
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 156578035
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 160969418
5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole
CID 170412609
9-[9,9-dimethyl-8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]pyrido[2,3-b]indole
CID 156578069
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 169059405
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335

Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole (CID 156577869) is 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)cc21.
What is the InChIKey of 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole?
The InChIKey is XMNIMNBNEUUQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5S/c1-47(2)38-19-8-6-14-31(38)32-23-21-29(26-39(32)47)44-49-43(28-12-4-3-5-13-28)50-45(51-44)37-17-10-16-35-34-24-22-30(27-41(34)53-42(35)37)52-40-20-9-7-15-33(40)36-18-11-25-48-46(36)52/h3-27H,1-2H3.
What are the key properties of 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole?
9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole has a molecular weight of 697.87 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156577869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).