9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole

C59H46N4 — CID 71274470

IUPAC9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc1C3(C)C
InChIInChI=1S/C59H46N4/c1-35-29-40(37-25-27-42(28-26-37)63-51-23-15-13-21-43(51)44-22-14-16-24-52(44)63)31-49-53(35)45-33-48-46(34-47(45)58(49,3)4)54-36(2)30-41(32-50(54)59(48,5)6)57-61-55(38-17-9-7-10-18-38)60-56(62-57)39-19-11-8-12-20-39/h7-34H,1-6H3
InChIKeyAOTHXPRTYXHZPS-UHFFFAOYSA-N
MW811.05 g/mol
LogP14.87
Rot. Bonds5

About 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole

9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole (PubChem CID 71274470) has the molecular formula C59H46N4 and a molecular weight of 811.05 g/mol. Its IUPAC name is 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole
PubChem CID71274470
Molecular FormulaC59H46N4
Molecular Weight811.05 g/mol
Exact Mass810.37
IUPAC Name9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc1C3(C)C
InChIInChI=1S/C59H46N4/c1-35-29-40(37-25-27-42(28-26-37)63-51-23-15-13-21-43(51)44-22-14-16-24-52(44)63)31-49-53(35)45-33-48-46(34-47(45)58(49,3)4)54-36(2)30-41(32-50(54)59(48,5)6)57-61-55(38-17-9-7-10-18-38)60-56(62-57)39-19-11-8-12-20-39/h7-34H,1-6H3
InChIKeyAOTHXPRTYXHZPS-UHFFFAOYSA-N
XLogP14.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.05
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
3,6-di(carbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3,5-dimethylphenyl]phenyl]phenyl]carbazole
CID 126729919
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
9-[4-[4-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[4-[4-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 159401121
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole
CID 170925439

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole (CID 71274470) is 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole is Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc1C3(C)C.
What is the InChIKey of 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole?
The InChIKey is AOTHXPRTYXHZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N4/c1-35-29-40(37-25-27-42(28-26-37)63-51-23-15-13-21-43(51)44-22-14-16-24-52(44)63)31-49-53(35)45-33-48-46(34-47(45)58(49,3)4)54-36(2)30-41(32-50(54)59(48,5)6)57-61-55(38-17-9-7-10-18-38)60-56(62-57)39-19-11-8-12-20-39/h7-34H,1-6H3.
What are the key properties of 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole?
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole has a molecular weight of 811.05 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]phenyl]carbazole is sourced from PubChem (CID 71274470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).