5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline

C45H31FN2 — CID 90297617

IUPAC5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccccc3)c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c21
InChIInChI=1S/C45H31FN2/c46-35-23-25-36-32(26-35)28-41(29-20-21-29)48-44(36)42(43(47-48)30-12-4-1-5-13-30)31-22-24-38-37-18-10-11-19-39(37)45(40(38)27-31,33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-19,22-29H,20-21H2
InChIKeyOBNJIJHPHHKKFW-UHFFFAOYSA-N
MW618.76 g/mol
LogP11.20
Rot. Bonds5

About 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline

5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297617) has the molecular formula C45H31FN2 and a molecular weight of 618.76 g/mol. Its IUPAC name is 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297617
Molecular FormulaC45H31FN2
Molecular Weight618.76 g/mol
Exact Mass618.25
IUPAC Name5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccccc3)c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c21
InChIInChI=1S/C45H31FN2/c46-35-23-25-36-32(26-35)28-41(29-20-21-29)48-44(36)42(43(47-48)30-12-4-1-5-13-30)31-22-24-38-37-18-10-11-19-39(37)45(40(38)27-31,33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-19,22-29H,20-21H2
InChIKeyOBNJIJHPHHKKFW-UHFFFAOYSA-N
XLogP11.20
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.76
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline
CID 90297630
1-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928107
5-cyclopropyl-1-dibenzothiophen-3-yl-8-fluoro-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297618
N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)pyrazolo[5,1-a]isoquinolin-8-amine
CID 167353115
N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
CID 167352924
1,2-diphenyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 164928275
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 90297166
9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene
CID 59733842
N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
CID 167352975
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene
CID 89208399
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353026

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline (CID 90297617) is 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline is Fc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccccc3)c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c21.
What is the InChIKey of 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is OBNJIJHPHHKKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31FN2/c46-35-23-25-36-32(26-35)28-41(29-20-21-29)48-44(36)42(43(47-48)30-12-4-1-5-13-30)31-22-24-38-37-18-10-11-19-39(37)45(40(38)27-31,33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-19,22-29H,20-21H2.
What are the key properties of 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline?
5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 618.76 g/mol, XLogP of 11.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).