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

C54H34N2 — CID 155159034

IUPAC1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cnn3c(-c4ccccc4)c(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c4ccccc4c23)cc1
InChIInChI=1S/C54H34N2/c1-3-17-35(18-4-1)45-34-55-56-52(36-19-5-2-6-20-36)50(42-25-7-8-26-43(42)53(45)56)38-22-15-21-37(33-38)39-28-16-32-49-51(39)44-27-11-14-31-48(44)54(49)46-29-12-9-23-40(46)41-24-10-13-30-47(41)54/h1-34H
InChIKeyRCVZAEKHGXBXJP-UHFFFAOYSA-N
MW710.88 g/mol
LogP13.50
Rot. Bonds4

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

1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 155159034) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
PubChem CID155159034
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cnn3c(-c4ccccc4)c(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c4ccccc4c23)cc1
InChIInChI=1S/C54H34N2/c1-3-17-35(18-4-1)45-34-55-56-52(36-19-5-2-6-20-36)50(42-25-7-8-26-43(42)53(45)56)38-22-15-21-37(33-38)39-28-16-32-49-51(39)44-27-11-14-31-48(44)54(49)46-29-12-9-23-40(46)41-24-10-13-30-47(41)54/h1-34H
InChIKeyRCVZAEKHGXBXJP-UHFFFAOYSA-N
XLogP13.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 513.50
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
1,5-diphenyl-6-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159569
1,5-diphenyl-6-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155029467
6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 155158462
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155029490
6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline;6-(4-diphenylphosphorylphenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-(4-phenanthren-9-ylphenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 158849575
1,5-diphenyl-6-(2-phenylquinazolin-4-yl)pyrazolo[5,1-a]isoquinoline
CID 155158470
1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline
CID 155158465
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
6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155158955
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline (CID 155159034) is 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline is c1ccc(-c2cnn3c(-c4ccccc4)c(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c4ccccc4c23)cc1.
What is the InChIKey of 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The InChIKey is RCVZAEKHGXBXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-17-35(18-4-1)45-34-55-56-52(36-19-5-2-6-20-36)50(42-25-7-8-26-43(42)53(45)56)38-22-15-21-37(33-38)39-28-16-32-49-51(39)44-27-11-14-31-48(44)54(49)46-29-12-9-23-40(46)41-24-10-13-30-47(41)54/h1-34H.
What are the key properties of 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 710.88 g/mol, XLogP of 13.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 155159034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).