2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole

C68H43N10S+ — CID 164980963

IUPAC2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c(c7)-c7ccccc7[NH+]8c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)s6)cc54)c3)n2)cc1
InChIInChI=1S/C68H42N10S/c1-5-19-43(20-6-1)61-69-62(44-21-7-2-8-22-44)72-65(71-61)47-27-17-29-51(39-47)77-58-34-16-14-32-54(58)56-41-49(36-38-59(56)77)67-75-76-68(79-67)50-35-37-55-53-31-13-15-33-57(53)78(60(55)42-50)52-30-18-28-48(40-52)66-73-63(45-23-9-3-10-24-45)70-64(74-66)46-25-11-4-12-26-46/h1-42H/p+1
InChIKeyFMAJHDZIASDMEW-UHFFFAOYSA-O
MW1032.23 g/mol
LogP15.50
Rot. Bonds10

About 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole

2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole (PubChem CID 164980963) has the molecular formula C68H43N10S+ and a molecular weight of 1032.23 g/mol. Its IUPAC name is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole
PubChem CID164980963
Molecular FormulaC68H43N10S+
Molecular Weight1032.23 g/mol
Exact Mass1031.34
IUPAC Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c(c7)-c7ccccc7[NH+]8c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)s6)cc54)c3)n2)cc1
InChIInChI=1S/C68H42N10S/c1-5-19-43(20-6-1)61-69-62(44-21-7-2-8-22-44)72-65(71-61)47-27-17-29-51(39-47)77-58-34-16-14-32-54(58)56-41-49(36-38-59(56)77)67-75-76-68(79-67)50-35-37-55-53-31-13-15-33-57(53)78(60(55)42-50)52-30-18-28-48(40-52)66-73-63(45-23-9-3-10-24-45)70-64(74-66)46-25-11-4-12-26-46/h1-42H/p+1
InChIKeyFMAJHDZIASDMEW-UHFFFAOYSA-O
XLogP15.50
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.23
LogP ≤ 515.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole
CID 122593954
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole
CID 126580282
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179596
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901415

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole (CID 164980963) is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c(c7)-c7ccccc7[NH+]8c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)s6)cc54)c3)n2)cc1.
What is the InChIKey of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole?
The InChIKey is FMAJHDZIASDMEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C68H42N10S/c1-5-19-43(20-6-1)61-69-62(44-21-7-2-8-22-44)72-65(71-61)47-27-17-29-51(39-47)77-58-34-16-14-32-54(58)56-41-49(36-38-59(56)77)67-75-76-68(79-67)50-35-37-55-53-31-13-15-33-57(53)78(60(55)42-50)52-30-18-28-48(40-52)66-73-63(45-23-9-3-10-24-45)70-64(74-66)46-25-11-4-12-26-46/h1-42H/p+1.
What are the key properties of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole?
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole has a molecular weight of 1032.23 g/mol, XLogP of 15.50, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazol-9-ium-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 164980963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).