2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole

C84H61N7 — CID 137458804

IUPAC2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2c(ccc3c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c23)C2CCCCC21
InChIInChI=1S/C84H61N7/c1-84(2)71-34-20-18-32-61(71)63-40-41-64-65-46-54(38-44-75(65)90(80(64)79(63)84)60-30-16-7-17-31-60)55-36-42-73-66(47-55)67-48-56(37-43-74(67)88(73)58-26-12-5-13-27-58)57-39-45-76-68(49-57)70-51-77-69(62-33-19-21-35-72(62)89(77)59-28-14-6-15-29-59)50-78(70)91(76)83-86-81(52-22-8-3-9-23-52)85-82(87-83)53-24-10-4-11-25-53/h3-17,19,21-31,33,35-51,61,71H,18,20,32,34H2,1-2H3
InChIKeyHBUBHQWUWJKBSX-UHFFFAOYSA-N
MW1168.46 g/mol
LogP21.49
Rot. Bonds8

About 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole

2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole (PubChem CID 137458804) has the molecular formula C84H61N7 and a molecular weight of 1168.46 g/mol. Its IUPAC name is 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole
PubChem CID137458804
Molecular FormulaC84H61N7
Molecular Weight1168.46 g/mol
Exact Mass1167.50
IUPAC Name2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2c(ccc3c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c23)C2CCCCC21
InChIInChI=1S/C84H61N7/c1-84(2)71-34-20-18-32-61(71)63-40-41-64-65-46-54(38-44-75(65)90(80(64)79(63)84)60-30-16-7-17-31-60)55-36-42-73-66(47-55)67-48-56(37-43-74(67)88(73)58-26-12-5-13-27-58)57-39-45-76-68(49-57)70-51-77-69(62-33-19-21-35-72(62)89(77)59-28-14-6-15-29-59)50-78(70)91(76)83-86-81(52-22-8-3-9-23-52)85-82(87-83)53-24-10-4-11-25-53/h3-17,19,21-31,33,35-51,61,71H,18,20,32,34H2,1-2H3
InChIKeyHBUBHQWUWJKBSX-UHFFFAOYSA-N
XLogP21.49
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001168.46
LogP ≤ 521.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236829
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236514
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862

Frequently Asked Questions

What is the IUPAC name of 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole?
The IUPAC name of 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole (CID 137458804) is 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole is CC1(C)c2c(ccc3c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c23)C2CCCCC21.
What is the InChIKey of 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole?
The InChIKey is HBUBHQWUWJKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H61N7/c1-84(2)71-34-20-18-32-61(71)63-40-41-64-65-46-54(38-44-75(65)90(80(64)79(63)84)60-30-16-7-17-31-60)55-36-42-73-66(47-55)67-48-56(37-43-74(67)88(73)58-26-12-5-13-27-58)57-39-45-76-68(49-57)70-51-77-69(62-33-19-21-35-72(62)89(77)59-28-14-6-15-29-59)50-78(70)91(76)83-86-81(52-22-8-3-9-23-52)85-82(87-83)53-24-10-4-11-25-53/h3-17,19,21-31,33,35-51,61,71H,18,20,32,34H2,1-2H3.
What are the key properties of 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole?
2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole has a molecular weight of 1168.46 g/mol, XLogP of 21.49, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 137458804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).