9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole

C47H31N5S — CID 169276082

IUPAC9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c21
InChIInChI=1S/C47H31N5S/c1-47(2)38-27-30(52-39-19-8-6-14-32(39)35-18-11-25-48-46(35)52)22-23-31(38)34-16-10-17-36(42(34)47)45-50-43(28-12-4-3-5-13-28)49-44(51-45)29-21-24-41-37(26-29)33-15-7-9-20-40(33)53-41/h3-27H,1-2H3
InChIKeyAEDRNYXXKGFKBI-UHFFFAOYSA-N
MW697.87 g/mol
LogP12.04
Rot. Bonds4

About 9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole

9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole (PubChem CID 169276082) has the molecular formula C47H31N5S and a molecular weight of 697.87 g/mol. Its IUPAC name is 9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
PubChem CID169276082
Molecular FormulaC47H31N5S
Molecular Weight697.87 g/mol
Exact Mass697.23
IUPAC Name9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c21
InChIInChI=1S/C47H31N5S/c1-47(2)38-27-30(52-39-19-8-6-14-32(39)35-18-11-25-48-46(35)52)22-23-31(38)34-16-10-17-36(42(34)47)45-50-43(28-12-4-3-5-13-28)49-44(51-45)29-21-24-41-37(26-29)33-15-7-9-20-40(33)53-41/h3-27H,1-2H3
InChIKeyAEDRNYXXKGFKBI-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

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Related Compounds

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-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]pyrido[2,3-b]indole
CID 169276060
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-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577869
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-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577740
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
9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163537177
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 156578051
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577666
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 158684626
9-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534530

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The IUPAC name of 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) is 9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole is CC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c21.
What is the InChIKey of 9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The InChIKey is AEDRNYXXKGFKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5S/c1-47(2)38-27-30(52-39-19-8-6-14-32(39)35-18-11-25-48-46(35)52)22-23-31(38)34-16-10-17-36(42(34)47)45-50-43(28-12-4-3-5-13-28)49-44(51-45)29-21-24-41-37(26-29)33-15-7-9-20-40(33)53-41/h3-27H,1-2H3.
What are the key properties of 9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-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-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 169276082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).