3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

C78H50N6S — CID 118503314

IUPAC3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n5-c3ccccc3)cc2-c2cc(-c3ccc4c(c3)c3ccc5c6ccccc6sc5c3n4-c3ccccc3)ccc21
InChIInChI=1S/C78H50N6S/c1-78(2)65-37-31-49(51-33-39-68-61(43-51)57-35-36-58-56-28-16-18-30-72(56)85-74(58)73(57)83(68)54-25-13-6-14-26-54)41-59(65)60-42-50(32-38-66(60)78)52-34-40-69-62(44-52)64-46-70-63(55-27-15-17-29-67(55)82(70)53-23-11-5-12-24-53)45-71(64)84(69)77-80-75(47-19-7-3-8-20-47)79-76(81-77)48-21-9-4-10-22-48/h3-46H,1-2H3
InChIKeyCPQRZRCIWDVMGW-UHFFFAOYSA-N
MW1103.37 g/mol
LogP20.51
Rot. Bonds7

About 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 118503314) has the molecular formula C78H50N6S and a molecular weight of 1103.37 g/mol. Its IUPAC name is 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID118503314
Molecular FormulaC78H50N6S
Molecular Weight1103.37 g/mol
Exact Mass1102.38
IUPAC Name3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n5-c3ccccc3)cc2-c2cc(-c3ccc4c(c3)c3ccc5c6ccccc6sc5c3n4-c3ccccc3)ccc21
InChIInChI=1S/C78H50N6S/c1-78(2)65-37-31-49(51-33-39-68-61(43-51)57-35-36-58-56-28-16-18-30-72(56)85-74(58)73(57)83(68)54-25-13-6-14-26-54)41-59(65)60-42-50(32-38-66(60)78)52-34-40-69-62(44-52)64-46-70-63(55-27-15-17-29-67(55)82(70)53-23-11-5-12-24-53)45-71(64)84(69)77-80-75(47-19-7-3-8-20-47)79-76(81-77)48-21-9-4-10-22-48/h3-46H,1-2H3
InChIKeyCPQRZRCIWDVMGW-UHFFFAOYSA-N
XLogP20.51
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.37
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141969
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 67701024
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580350
3-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730115
2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole
CID 118503289
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 164991274
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 138622688
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 163428513
3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118503313
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole
CID 165067702
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580449

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (CID 118503314) is 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is CC1(C)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n5-c3ccccc3)cc2-c2cc(-c3ccc4c(c3)c3ccc5c6ccccc6sc5c3n4-c3ccccc3)ccc21.
What is the InChIKey of 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is CPQRZRCIWDVMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N6S/c1-78(2)65-37-31-49(51-33-39-68-61(43-51)57-35-36-58-56-28-16-18-30-72(56)85-74(58)73(57)83(68)54-25-13-6-14-26-54)41-59(65)60-42-50(32-38-66(60)78)52-34-40-69-62(44-52)64-46-70-63(55-27-15-17-29-67(55)82(70)53-23-11-5-12-24-53)45-71(64)84(69)77-80-75(47-19-7-3-8-20-47)79-76(81-77)48-21-9-4-10-22-48/h3-46H,1-2H3.
What are the key properties of 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 1103.37 g/mol, XLogP of 20.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 118503314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).