7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole

C25H18N2 — CID 11837411

IUPAC7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole
SMILESc1ccc(C2=NN(c3ccccc3)C3c4cccc5cccc(c45)C23)cc1
InChIInChI=1S/C25H18N2/c1-3-9-18(10-4-1)24-23-20-15-7-11-17-12-8-16-21(22(17)20)25(23)27(26-24)19-13-5-2-6-14-19/h1-16,23,25H
InChIKeyXSXSETQIICAJFQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.90
Rot. Bonds2

About 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole

7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole (PubChem CID 11837411) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole.

Molecular Properties

Compound Name7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole
PubChem CID11837411
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole
SMILESc1ccc(C2=NN(c3ccccc3)C3c4cccc5cccc(c45)C23)cc1
InChIInChI=1S/C25H18N2/c1-3-9-18(10-4-1)24-23-20-15-7-11-17-12-8-16-21(22(17)20)25(23)27(26-24)19-13-5-2-6-14-19/h1-16,23,25H
InChIKeyXSXSETQIICAJFQ-UHFFFAOYSA-N
XLogP5.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (6bR,9aS)-7-(3-chlorophenyl)-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole-9-carboxylate
CID 7195312
CID 14934732
CID 14934732
(3aS,8bR)-3-(4-chlorophenyl)-1-phenyl-4,8b-dihydro-3aH-indeno[2,1-c]pyrazole
CID 7113051
(6bS,8R,9aR)-8-methyl-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole
CID 11896193
(3aS,8bS)-4-ethyl-3-(4-methylphenyl)-1-phenyl-3a,8b-dihydropyrazolo[3,4-b]indole
CID 14661023
13-methyl-25-phenyl-1,25-diazaoctacyclo[11.11.1.13,7.115,19.02,12.014,24.011,27.023,26]heptacosa-3,5,7(27),8,10,15,17,19(26),20,22-decaene
CID 11834973
(3aR,6aR)-3-(4-nitrophenyl)-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 98459329
(3aS,8bS)-1-(4-chlorophenyl)-4-ethyl-3-phenyl-3a,8b-dihydropyrazolo[3,4-b]indole
CID 14661019
(3aS,6aR)-5-naphthalen-2-yl-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 98454414
(3aS,9bR)-3,4-dimethyl-5-oxido-1-phenyl-3a,9b-dihydropyrazolo[4,3-c]quinolin-5-ium
CID 6932699
8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole
CID 56695459
(4-methoxyphenyl)-[(3R,4S)-2,3,5-triphenyl-3,4-dihydropyrazol-4-yl]methanone
CID 15197840

Frequently Asked Questions

What is the IUPAC name of 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole?
The IUPAC name of 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole (CID 11837411) is 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole.
What is the SMILES notation for 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole?
The canonical SMILES for 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole is c1ccc(C2=NN(c3ccccc3)C3c4cccc5cccc(c45)C23)cc1.
What is the InChIKey of 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole?
The InChIKey is XSXSETQIICAJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-3-9-18(10-4-1)24-23-20-15-7-11-17-12-8-16-21(22(17)20)25(23)27(26-24)19-13-5-2-6-14-19/h1-16,23,25H.
What are the key properties of 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole?
7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole has a molecular weight of 346.43 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole is sourced from PubChem (CID 11837411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).