8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline

C66H44N10 — CID 58233291

IUPAC8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline
SMILESCC1(C)c2cc(-c3nc(-c4cccc5ccncc45)nc(-c4cccc5ccncc45)n3)ccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4cccc5ccncc45)nc(-c4cccc5ccncc45)n2)cc1C3(C)C
InChIInChI=1S/C66H44N10/c1-65(2)55-29-41(59-71-61(45-13-5-9-37-21-25-67-33-51(37)45)75-62(72-59)46-14-6-10-38-22-26-68-34-52(38)46)17-19-43(55)49-32-58-50(31-57(49)65)44-20-18-42(30-56(44)66(58,3)4)60-73-63(47-15-7-11-39-23-27-69-35-53(39)47)76-64(74-60)48-16-8-12-40-24-28-70-36-54(40)48/h5-36H,1-4H3
InChIKeyQJVFEYITFFTBPA-UHFFFAOYSA-N
MW977.15 g/mol
LogP14.86
Rot. Bonds6

About 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline

8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline (PubChem CID 58233291) has the molecular formula C66H44N10 and a molecular weight of 977.15 g/mol. Its IUPAC name is 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline.

Molecular Properties

Compound Name8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline
PubChem CID58233291
Molecular FormulaC66H44N10
Molecular Weight977.15 g/mol
Exact Mass976.38
IUPAC Name8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline
SMILESCC1(C)c2cc(-c3nc(-c4cccc5ccncc45)nc(-c4cccc5ccncc45)n3)ccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4cccc5ccncc45)nc(-c4cccc5ccncc45)n2)cc1C3(C)C
InChIInChI=1S/C66H44N10/c1-65(2)55-29-41(59-71-61(45-13-5-9-37-21-25-67-33-51(37)45)75-62(72-59)46-14-6-10-38-22-26-68-34-52(38)46)17-19-43(55)49-32-58-50(31-57(49)65)44-20-18-42(30-56(44)66(58,3)4)60-73-63(47-15-7-11-39-23-27-69-35-53(39)47)76-64(74-60)48-16-8-12-40-24-28-70-36-54(40)48/h5-36H,1-4H3
InChIKeyQJVFEYITFFTBPA-UHFFFAOYSA-N
XLogP14.86
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.15
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline with MolForge

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Related Compounds

CID 101523658
CID 101523658
CID 49849947
CID 49849947
CID 69617487
CID 69617487
CID 102220863
CID 102220863
CID 117829609
CID 117829609
CID 129849643
CID 129849643
CID 86669952
CID 86669952
CID 118857240
CID 118857240
CID 118857304
CID 118857304
CID 118857317
CID 118857317
CID 118857318
CID 118857318
CID 118857336
CID 118857336

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline?
The IUPAC name of 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline (CID 58233291) is 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline.
What is the SMILES notation for 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline?
The canonical SMILES for 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline is CC1(C)c2cc(-c3nc(-c4cccc5ccncc45)nc(-c4cccc5ccncc45)n3)ccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4cccc5ccncc45)nc(-c4cccc5ccncc45)n2)cc1C3(C)C.
What is the InChIKey of 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline?
The InChIKey is QJVFEYITFFTBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N10/c1-65(2)55-29-41(59-71-61(45-13-5-9-37-21-25-67-33-51(37)45)75-62(72-59)46-14-6-10-38-22-26-68-34-52(38)46)17-19-43(55)49-32-58-50(31-57(49)65)44-20-18-42(30-56(44)66(58,3)4)60-73-63(47-15-7-11-39-23-27-69-35-53(39)47)76-64(74-60)48-16-8-12-40-24-28-70-36-54(40)48/h5-36H,1-4H3.
What are the key properties of 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline?
8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline has a molecular weight of 977.15 g/mol, XLogP of 14.86, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-[4,6-di(isoquinolin-8-yl)-1,3,5-triazin-2-yl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]-6-isoquinolin-8-yl-1,3,5-triazin-2-yl]isoquinoline is sourced from PubChem (CID 58233291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).