5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole

C96H60N8S — CID 126632745

IUPAC5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)sc4ccccc45)cc32)nc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)n1
InChIInChI=1S/C96H60N8S/c1-96(2)78-31-15-9-25-65(78)74-47-50-85-91(92(74)96)75-30-13-19-35-82(75)102(85)93-97-94(103-81-34-18-10-26-66(81)69-43-39-61(55-86(69)103)62-40-46-73-72-29-14-20-36-89(72)105-90(73)56-62)99-95(98-93)104-87-53-59(57-41-48-83-76(51-57)67-27-11-16-32-79(67)100(83)63-21-5-3-6-22-63)37-44-70(87)71-45-38-60(54-88(71)104)58-42-49-84-77(52-58)68-28-12-17-33-80(68)101(84)64-23-7-4-8-24-64/h3-56H,1-2H3
InChIKeyFYRFWZLILLVSIB-UHFFFAOYSA-N
MW1357.66 g/mol
LogP25.03
Rot. Bonds8

About 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole

5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 126632745) has the molecular formula C96H60N8S and a molecular weight of 1357.66 g/mol. Its IUPAC name is 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
PubChem CID126632745
Molecular FormulaC96H60N8S
Molecular Weight1357.66 g/mol
Exact Mass1356.47
IUPAC Name5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)sc4ccccc45)cc32)nc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)n1
InChIInChI=1S/C96H60N8S/c1-96(2)78-31-15-9-25-65(78)74-47-50-85-91(92(74)96)75-30-13-19-35-82(75)102(85)93-97-94(103-81-34-18-10-26-66(81)69-43-39-61(55-86(69)103)62-40-46-73-72-29-14-20-36-89(72)105-90(73)56-62)99-95(98-93)104-87-53-59(57-41-48-83-76(51-57)67-27-11-16-32-79(67)100(83)63-21-5-3-6-22-63)37-44-70(87)71-45-38-60(54-88(71)104)58-42-49-84-77(52-58)68-28-12-17-33-80(68)101(84)64-23-7-4-8-24-64/h3-56H,1-2H3
InChIKeyFYRFWZLILLVSIB-UHFFFAOYSA-N
XLogP25.03
TPSA63.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001357.66
LogP ≤ 525.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole with MolForge

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Related Compounds

5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126632761
5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 158869733
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 134237091
2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 159745382
3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane
CID 162161551
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223615
3-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-9-yl)-9-phenylcarbazole
CID 118099081
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099001
11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 157244793
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158543724

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?
The IUPAC name of 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole (CID 126632745) is 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole.
What is the SMILES notation for 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?
The canonical SMILES for 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)sc4ccccc45)cc32)nc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)n1.
What is the InChIKey of 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?
The InChIKey is FYRFWZLILLVSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N8S/c1-96(2)78-31-15-9-25-65(78)74-47-50-85-91(92(74)96)75-30-13-19-35-82(75)102(85)93-97-94(103-81-34-18-10-26-66(81)69-43-39-61(55-86(69)103)62-40-46-73-72-29-14-20-36-89(72)105-90(73)56-62)99-95(98-93)104-87-53-59(57-41-48-83-76(51-57)67-27-11-16-32-79(67)100(83)63-21-5-3-6-22-63)37-44-70(87)71-45-38-60(54-88(71)104)58-42-49-84-77(52-58)68-28-12-17-33-80(68)101(84)64-23-7-4-8-24-64/h3-56H,1-2H3.
What are the key properties of 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?
5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 1357.66 g/mol, XLogP of 25.03, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 126632745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).