2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline

C35H22N2O — CID 90297239

IUPAC2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C35H22N2O/c1-3-11-23(12-4-1)30-22-25-15-7-8-16-27(25)35-33(24-13-5-2-6-14-24)34(36-37(30)35)26-19-20-32-29(21-26)28-17-9-10-18-31(28)38-32/h1-22H
InChIKeySALHHLNSQYXIRC-UHFFFAOYSA-N
MW486.57 g/mol
LogP9.39
Rot. Bonds3

About 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline

2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297239) has the molecular formula C35H22N2O and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297239
Molecular FormulaC35H22N2O
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C35H22N2O/c1-3-11-23(12-4-1)30-22-25-15-7-8-16-27(25)35-33(24-13-5-2-6-14-24)34(36-37(30)35)26-19-20-32-29(21-26)28-17-9-10-18-31(28)38-32/h1-22H
InChIKeySALHHLNSQYXIRC-UHFFFAOYSA-N
XLogP9.39
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

18-Oxa-9,10-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2,4,6,8,11,13,15,19,21,23-undecaene
CID 139038400
N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
CID 129092370
14-[3-(6-Naphthalen-2-ylnaphthalen-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123488
9-Phenyl-2-[2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]carbazole
CID 129127331
7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine
CID 134222268
5-(4-Dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole
CID 134222269
9-Cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole
CID 134223168
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b][1]benzofuran-9-yl]carbazole
CID 134223176
6-(3-Dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole
CID 134223584
2-Dibenzofuran-3-yl-3-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)quinoxaline
CID 163563909
1-(9-Phenyl-2,3-dihydrocarbazol-3-yl)-3-[(3-phenylphenyl)methyl]-[1]benzofuro[3,2-e]indazole
CID 163649513
6-Phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine
CID 163650691

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline (CID 90297239) is 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4ccccc4)cc4ccccc4c23)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is SALHHLNSQYXIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O/c1-3-11-23(12-4-1)30-22-25-15-7-8-16-27(25)35-33(24-13-5-2-6-14-24)34(36-37(30)35)26-19-20-32-29(21-26)28-17-9-10-18-31(28)38-32/h1-22H.
What are the key properties of 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 486.57 g/mol, XLogP of 9.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).