1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline

C60H38N2 — CID 155159338

IUPAC1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C60H38N2/c1-4-20-39(21-5-1)55-57(40-22-6-2-7-23-40)61-62-58(41-24-8-3-9-25-41)54(47-30-10-11-31-48(47)59(55)62)43-27-18-26-42(38-43)44-33-19-37-53-56(44)49-32-14-17-36-52(49)60(53)50-34-15-12-28-45(50)46-29-13-16-35-51(46)60/h1-38H
InChIKeyLZFWTOKENBWDLC-UHFFFAOYSA-N
MW786.98 g/mol
LogP15.17
Rot. Bonds5

About 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline

1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 155159338) has the molecular formula C60H38N2 and a molecular weight of 786.98 g/mol. Its IUPAC name is 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
PubChem CID155159338
Molecular FormulaC60H38N2
Molecular Weight786.98 g/mol
Exact Mass786.30
IUPAC Name1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C60H38N2/c1-4-20-39(21-5-1)55-57(40-22-6-2-7-23-40)61-62-58(41-24-8-3-9-25-41)54(47-30-10-11-31-48(47)59(55)62)43-27-18-26-42(38-43)44-33-19-37-53-56(44)49-32-14-17-36-52(49)60(53)50-34-15-12-28-45(50)46-29-13-16-35-51(46)60/h1-38H
InChIKeyLZFWTOKENBWDLC-UHFFFAOYSA-N
XLogP15.17
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.98
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 155158462
1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159034
1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159510
N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353032
1,2,5-triphenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155158485
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,5-diphenyl-2-(4-phenylphenyl)pyrazolo[5,1-a]isoquinoline
CID 155159008
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,2,5-triphenyl-6-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline;1,2,5-triphenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline;1,2,5-triphenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 159909070
6-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 155158489
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353025
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 167177433
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560

Frequently Asked Questions

What is the IUPAC name of 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline (CID 155159338) is 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline is c1ccc(-c2nn3c(-c4ccccc4)c(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The InChIKey is LZFWTOKENBWDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2/c1-4-20-39(21-5-1)55-57(40-22-6-2-7-23-40)61-62-58(41-24-8-3-9-25-41)54(47-30-10-11-31-48(47)59(55)62)43-27-18-26-42(38-43)44-33-19-37-53-56(44)49-32-14-17-36-52(49)60(53)50-34-15-12-28-45(50)46-29-13-16-35-51(46)60/h1-38H.
What are the key properties of 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 786.98 g/mol, XLogP of 15.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 155159338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).