6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline

C60H40N2 — CID 155158462

IUPAC6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C60H40N2/c1-6-21-42(22-7-1)55-57(44-23-8-2-9-24-44)61-62-58(45-25-10-3-11-26-45)54(49-31-16-17-32-50(49)59(55)62)43-39-37-41(38-40-43)48-34-20-36-53-56(48)51-33-18-19-35-52(51)60(53,46-27-12-4-13-28-46)47-29-14-5-15-30-47/h1-40H
InChIKeyKFRPLVYOFLIRPT-UHFFFAOYSA-N
MW788.99 g/mol
LogP15.19
Rot. Bonds7

About 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline

6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 155158462) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
PubChem CID155158462
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C60H40N2/c1-6-21-42(22-7-1)55-57(44-23-8-2-9-24-44)61-62-58(45-25-10-3-11-26-45)54(49-31-16-17-32-50(49)59(55)62)43-39-37-41(38-40-43)48-34-20-36-53-56(48)51-33-18-19-35-52(51)60(53,46-27-12-4-13-28-46)47-29-14-5-15-30-47/h1-40H
InChIKeyKFRPLVYOFLIRPT-UHFFFAOYSA-N
XLogP15.19
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159338
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-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159510
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-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155158485
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353059
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167352971
N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167352979
5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline
CID 164771442
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,5-diphenyl-2-(4-phenylphenyl)pyrazolo[5,1-a]isoquinoline
CID 155159008
N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
CID 167352975

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline (CID 155158462) is 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is KFRPLVYOFLIRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-6-21-42(22-7-1)55-57(44-23-8-2-9-24-44)61-62-58(45-25-10-3-11-26-45)54(49-31-16-17-32-50(49)59(55)62)43-39-37-41(38-40-43)48-34-20-36-53-56(48)51-33-18-19-35-52(51)60(53,46-27-12-4-13-28-46)47-29-14-5-15-30-47/h1-40H.
What are the key properties of 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 788.99 g/mol, XLogP of 15.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 155158462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).